smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cccc(NC=C2C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)c1 ZINC000002892756 727774688 /nfs/dbraw/zinc/77/46/88/727774688.db2.gz ZFTZIPNQWORGPG-GDNBJRDFSA-N -1 0 355.394 2.878 50 10 FFCARM COc1ccc(N2C(=O)[N-]C(=O)C(=CNc3cccc(Cl)c3)C2=O)cc1 ZINC000100345459 960100927 /nfs/dbraw/zinc/10/09/27/960100927.db2.gz NNKQLSYFAASCCM-GDNBJRDFSA-N -1 0 371.780 2.927 50 10 FFCARM COc1ccccc1N1C(=O)C(=CNc2cccc(C)c2)C(=O)[N-]C1=S ZINC000002892772 966751018 /nfs/dbraw/zinc/75/10/18/966751018.db2.gz QBURGBJCCSJDJN-KAMYIIQDSA-N -1 0 367.430 2.747 50 10 FFCARM COc1ccc([N+](=O)[O-])cc1/C=C1/C(=O)[N-]N(c2cccc(Cl)c2)C1=O ZINC000016667721 1022320016 /nfs/dbraw/zinc/32/00/16/1022320016.db2.gz NZYIZHFMXVCXMI-ZSOIEALJSA-N -1 0 373.752 2.718 50 10 FFCARM Cn1cccc1/C=C1/SC(=S)N([C@H](Cc2ccccc2)C(=O)[O-])C1=O ZINC000002333105 204033819 /nfs/dbraw/zinc/03/38/19/204033819.db2.gz KJCWFFVOKRNCEF-XDPMZMSMSA-N -1 0 372.471 2.922 50 10 FFCARM CC(C)[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S ZINC000005838305 204226611 /nfs/dbraw/zinc/22/66/11/204226611.db2.gz LPYQKLLCNZMFBW-UWUHSAQLSA-N -1 0 365.432 2.726 50 10 FFCARM CC(=O)Oc1cccc(/C=C2\C(=O)[N-]N(c3ccc(C)c(C)c3)C2=O)c1 ZINC000000666882 206131048 /nfs/dbraw/zinc/13/10/48/206131048.db2.gz XRSVCGKAGGBETK-WOJGMQOQSA-N -1 0 350.374 2.690 50 10 FFCARM C[C@@H]1CCc2c(sc([N-]S(=O)(=O)c3ccc(F)cc3)c2C(N)=O)C1 ZINC000007409927 206244895 /nfs/dbraw/zinc/24/48/95/206244895.db2.gz BMCYOVMGRRXZGG-SECBINFHSA-N -1 0 368.455 2.912 50 10 FFCARM C[C@@H]([NH2+]Cc1c([O-])cc(O)c2c(=O)c(-c3ccc(F)cc3)coc12)C(=O)[O-] ZINC000020111270 206327789 /nfs/dbraw/zinc/32/77/89/206327789.db2.gz VTESKULQICWVBB-SECBINFHSA-N -1 0 373.336 2.573 50 10 biogenic FFCARM O=C1[N-]C(=O)N(c2ccccc2F)C(=O)C1=CNCCC1=CCCCC1 ZINC000100401622 132232596 /nfs/dbraw/zinc/23/25/96/132232596.db2.gz HOMBYHPWJGJCTF-OWBHPGMISA-N -1 0 357.385 2.773 50 10 FFCARM CCOc1cc(/C=C2\C(=O)[N-]N(c3ccc(Cl)cc3)C2=O)ccc1O ZINC000000713871 506229369 /nfs/dbraw/zinc/22/93/69/506229369.db2.gz YXJZWYMYJXULOI-NTEUORMPSA-N -1 0 358.781 2.906 50 10 FFCARM O=S(=O)([N-]c1ccc(OC(F)(F)F)cc1)c1cccc2nonc21 ZINC000001038800 506245778 /nfs/dbraw/zinc/24/57/78/506245778.db2.gz KOOGCVYXTDTARL-UHFFFAOYSA-N -1 0 359.285 2.922 50 10 FFCARM COc1ccc(S(=O)(=O)[N-]c2sc3c(c2C(N)=O)CCCC3)cc1 ZINC000001114122 506250514 /nfs/dbraw/zinc/25/05/14/506250514.db2.gz PEHHOAGJUNCDTJ-UHFFFAOYSA-N -1 0 366.464 2.535 50 10 FFCARM O=C(NCc1cc([N+](=O)[O-])ccc1[O-])c1cccnc1SC(F)F ZINC000035286717 506377647 /nfs/dbraw/zinc/37/76/47/506377647.db2.gz XOHXVIIGHWBFOK-UHFFFAOYSA-N -1 0 355.322 2.940 50 10 FFCARM Cc1ccc(N2C(=O)/C(=C/c3ccc(O)cc3)C(=O)[N-]C2=S)c(C)c1 ZINC000004690050 506388394 /nfs/dbraw/zinc/38/83/94/506388394.db2.gz DRBGNMKYXWRSML-XNTDXEJSSA-N -1 0 352.415 2.840 50 10 FFCARM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc4c(c3)OCO4)C2=O)cc1 ZINC000004834183 506397092 /nfs/dbraw/zinc/39/70/92/506397092.db2.gz RWMQNBBEBKECLU-DHDCSXOGSA-N -1 0 364.357 2.644 50 10 FFCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(O)c(O)c3)C2=O)cc1Cl ZINC000005100866 506422449 /nfs/dbraw/zinc/42/24/49/506422449.db2.gz XIFNPGOAGXVAGL-SDQBBNPISA-N -1 0 372.764 2.726 50 10 FFCARM COc1ccc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3C)C2=O)cc1 ZINC000005125626 506423746 /nfs/dbraw/zinc/42/37/46/506423746.db2.gz PVOGSYGLDOVFRD-PTNGSMBKSA-N -1 0 352.415 2.835 50 10 FFCARM CSc1ncc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cn1 ZINC000013543717 506943274 /nfs/dbraw/zinc/94/32/74/506943274.db2.gz IITOKPQREYYCBM-SDQBBNPISA-N -1 0 374.809 2.518 50 10 FFCARM CC(C)[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2cccc3nccnc23)SC1=S ZINC000013734008 506955336 /nfs/dbraw/zinc/95/53/36/506955336.db2.gz XVYATKFXIWJFDR-UNJUUPHPSA-N -1 0 373.459 2.940 50 10 FFCARM COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)cc1OC ZINC000016309503 507080902 /nfs/dbraw/zinc/08/09/02/507080902.db2.gz VHQBLFDKZDUWNW-UVTDQMKNSA-N -1 0 366.373 2.679 50 10 FFCARM O=C(NCc1cc([N+](=O)[O-])ccc1[O-])c1ccc(Br)cc1 ZINC000017905862 507130398 /nfs/dbraw/zinc/13/03/98/507130398.db2.gz YKTGCLRLQRYEJA-UHFFFAOYSA-N -1 0 351.156 2.993 50 10 FFCARM COCc1noc(C2(NCc3c([O-])ccc(Cl)c3F)CCOCC2)n1 ZINC000585141817 518546685 /nfs/dbraw/zinc/54/66/85/518546685.db2.gz GLUNLNVKSIQZOX-UHFFFAOYSA-N -1 0 371.796 2.510 50 10 FFCARM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)c(C)c1 ZINC000001208516 536596931 /nfs/dbraw/zinc/59/69/31/536596931.db2.gz KCMMNOSFWVFLFC-GZTJUZNOSA-N -1 0 350.374 2.978 50 10 FFCARM COc1ccccc1N1C(=O)/C(=C\c2ccc(C)s2)C(=O)[N-]C1=S ZINC000001184742 727774370 /nfs/dbraw/zinc/77/43/70/727774370.db2.gz NRSCSYUTGSZEIY-XFXZXTDPSA-N -1 0 358.444 2.896 50 10 FFCARM CC(=O)n1cc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)c2ccccc21 ZINC000004555429 204147305 /nfs/dbraw/zinc/14/73/05/204147305.db2.gz CXNSLPORKOIOEO-AWNIVKPZSA-N -1 0 360.416 2.587 50 10 FFCARM Cc1ccc(S(=O)(=O)Nc2ccc([O-])c(Sc3nc[nH]n3)c2)cc1 ZINC000005447762 204209126 /nfs/dbraw/zinc/20/91/26/204209126.db2.gz ANDITESYZDMDFP-UHFFFAOYSA-N -1 0 362.436 2.771 50 10 FFCARM COC(=O)c1ccccc1/C=C1/C(=O)[N-]N(c2ccc(C)c(C)c2)C1=O ZINC000005618129 204218670 /nfs/dbraw/zinc/21/86/70/204218670.db2.gz FAXIBLLLAPXVGG-BOPFTXTBSA-N -1 0 350.374 2.551 50 10 FFCARM CN(C)c1ccc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(F)c3)C2=O)cc1 ZINC000001163299 132380526 /nfs/dbraw/zinc/38/05/26/132380526.db2.gz HCPAWGMZJCNIJJ-MHWRWJLKSA-N -1 0 369.421 2.723 50 10 FFCARM Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(N3CCCC3)o2)C1=O ZINC000005101226 506422414 /nfs/dbraw/zinc/42/24/14/506422414.db2.gz DBUUXPJIHDEXEH-NTCAYCPXSA-N -1 0 365.389 2.855 50 10 FFCARM Cc1ccccc1N1C(=O)[N-]C(=O)C(=CNc2ccc(N(C)C)cc2)C1=O ZINC000005593440 506450431 /nfs/dbraw/zinc/45/04/31/506450431.db2.gz SGCDLXXXDQWJEQ-VBKFSLOCSA-N -1 0 364.405 2.640 50 10 FFCARM COc1ccc(/C=C2/C(=O)[N-]N(c3cccc(Cl)c3)C2=O)cc1[N+](=O)[O-] ZINC000016667588 507104034 /nfs/dbraw/zinc/10/40/34/507104034.db2.gz IFWWMEKPFDEKSI-QPEQYQDCSA-N -1 0 373.752 2.718 50 10 FFCARM COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc1OC ZINC000022107423 507279329 /nfs/dbraw/zinc/27/93/29/507279329.db2.gz JRDXVHFORFPINK-GDNBJRDFSA-N -1 0 366.373 2.679 50 10 FFCARM Nc1[n-]n2c(nc3c(c2=O)CCCC3)c1N=Nc1ccc2c(c1)OCO2 ZINC000334159029 511466803 /nfs/dbraw/zinc/46/68/03/511466803.db2.gz OPWYIFHKRZZDOC-UHFFFAOYSA-N -1 0 352.354 2.628 50 10 FFCARM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)cc1OC ZINC000001192846 536597361 /nfs/dbraw/zinc/59/73/61/536597361.db2.gz YFGZGXMQDUFQHG-XNTDXEJSSA-N -1 0 366.373 2.679 50 10 FFCARM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc1 ZINC000000843150 536598293 /nfs/dbraw/zinc/59/82/93/536598293.db2.gz VIEZHKFBZLEPLD-GZTJUZNOSA-N -1 0 350.374 2.978 50 10 FFCARM O=C1[N-]N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(O)c(O)c1 ZINC000001188454 727774330 /nfs/dbraw/zinc/77/43/30/727774330.db2.gz OQKZRPMHAHLXIB-BJMVGYQFSA-N -1 0 365.172 2.866 50 10 FFCARM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC)cc3)C2=O)cc1 ZINC000000845433 1014218207 /nfs/dbraw/zinc/21/82/07/1014218207.db2.gz LKHWQDMVWNSSHG-SFQUDFHCSA-N -1 0 366.373 2.760 50 10 FFCARM Cc1ccc(N2[N-]C(=O)/C(=C/c3ccc4c(c3)OCO4)C2=O)cc1Cl ZINC000004839144 204167615 /nfs/dbraw/zinc/16/76/15/204167615.db2.gz YZUNUSTVZQWTGF-MLPAPPSSSA-N -1 0 356.765 2.839 50 10 FFCARM CCCCN1C(=O)[N-]C(=O)C(=Cc2ccc(OC)c(OC)c2OC)C1=O ZINC000006783098 204269088 /nfs/dbraw/zinc/26/90/88/204269088.db2.gz OHODFPDFTCJLOP-BENRWUELSA-N -1 0 362.382 2.815 50 10 FFCARM CCOc1cc(/C=C2/SC(=S)N([C@H](CC)C(=O)[O-])C2=O)ccc1O ZINC000016890344 206321327 /nfs/dbraw/zinc/32/13/27/206321327.db2.gz ZOTFGTNTTRFCIK-SEEODLKFSA-N -1 0 367.448 2.855 50 10 FFCARM CCOc1ccc(N2C(=O)[N-]C(=O)C(=CC=Cc3ccco3)C2=O)cc1 ZINC000001181890 132380883 /nfs/dbraw/zinc/38/08/83/132380883.db2.gz LNIJUPJRTYUVOF-FWPHUCDGSA-N -1 0 352.346 2.901 50 10 FFCARM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc(Cl)c1O ZINC000001201336 132380930 /nfs/dbraw/zinc/38/09/30/132380930.db2.gz WZYIOHZSGJYBRO-KPKJPENVSA-N -1 0 372.764 2.721 50 10 FFCARM CN1c2ccccc2C(=O)N2CCc3c4ccccc4n(CC(=O)[O-])c3[C@@H]12 ZINC000064447517 136133207 /nfs/dbraw/zinc/13/32/07/136133207.db2.gz HPENFTSJGKRLNE-FQEVSTJZSA-N -1 0 361.401 2.873 50 10 FFCARM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)C1=CNc1ccc(O)cc1 ZINC000004852139 506399587 /nfs/dbraw/zinc/39/95/87/506399587.db2.gz OHTKSWFRKVSYHL-ZROIWOOFSA-N -1 0 357.753 2.624 50 10 FFCARM CCOc1ccc(/C=C2\SC(=S)N(CCC(=O)[O-])C2=O)cc1OC ZINC000013382172 506941876 /nfs/dbraw/zinc/94/18/76/506941876.db2.gz VYIZULHTDXUVGN-LCYFTJDESA-N -1 0 367.448 2.770 50 10 FFCARM COc1ccc(N2C(=O)[N-]C(=O)C(=CNc3cccc(C)c3)C2=O)cc1 ZINC000002892904 966751499 /nfs/dbraw/zinc/75/14/99/966751499.db2.gz DOWSAHXRMXVHTO-WJDWOHSUSA-N -1 0 351.362 2.582 50 10 FFCARM Cc1ccc(S(=O)(=O)[N-]c2sc3c(c2C(N)=O)CCC3)cc1C ZINC000002755172 204054136 /nfs/dbraw/zinc/05/41/36/204054136.db2.gz RTVASTUSPKFRJM-UHFFFAOYSA-N -1 0 350.465 2.753 50 10 FFCARM CCC[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S ZINC000005899863 204229597 /nfs/dbraw/zinc/22/95/97/204229597.db2.gz MGQXIIBLTNLNMI-JLATVTFTSA-N -1 0 365.432 2.870 50 10 FFCARM CN(CC(=O)NCc1cc([N+](=O)[O-])ccc1[O-])Cc1ccccc1Cl ZINC000009050723 204352831 /nfs/dbraw/zinc/35/28/31/204352831.db2.gz NOUNDRBLFCWBIE-UHFFFAOYSA-N -1 0 363.801 2.702 50 10 FFCARM COc1ccc(CN2C(=O)[N-]C(=O)C(=Cc3ccc([N+](=O)[O-])o3)C2=O)cc1 ZINC000009359038 204364576 /nfs/dbraw/zinc/36/45/76/204364576.db2.gz FDMVPVMYMRUYSC-JYRVWZFOSA-N -1 0 371.305 2.699 50 10 FFCARM Cc1ccc2nsnc2c1S(=O)(=O)[N-]c1cccc2nsnc21 ZINC000003011936 206157199 /nfs/dbraw/zinc/15/71/99/206157199.db2.gz KOLIKVQLPZTLCK-UHFFFAOYSA-N -1 0 363.449 2.805 50 10 FFCARM COc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc([N+](=O)[O-])s3)C2=O)c1 ZINC000008837680 132260063 /nfs/dbraw/zinc/26/00/63/132260063.db2.gz UMWKECNWLQGLGP-WQLSENKSSA-N -1 0 373.346 2.536 50 10 FFCARM Cn1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccccc3)C2=O)c2ccccc21 ZINC000001030891 506244408 /nfs/dbraw/zinc/24/44/08/506244408.db2.gz NQXOGHWQMQBOFD-GZTJUZNOSA-N -1 0 359.385 2.840 50 10 FFCARM COc1cc(/C=C2\C(=O)[N-]N(c3ccc(F)c(Cl)c3)C2=O)ccc1O ZINC000001067632 506248380 /nfs/dbraw/zinc/24/83/80/506248380.db2.gz QIOVFDFEGJTFRP-IZZDOVSWSA-N -1 0 362.744 2.655 50 10 FFCARM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccccc3Cl)C2=O)c(C)n1C ZINC000001130074 506249436 /nfs/dbraw/zinc/24/94/36/506249436.db2.gz BQFFFTUKFKVTBU-OQLLNIDSSA-N -1 0 371.824 2.957 50 10 FFCARM O=C1[N-]C(=O)C(=Cc2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C(=O)N1 ZINC000001215420 506256855 /nfs/dbraw/zinc/25/68/55/506256855.db2.gz NIVJFRXBWFQANK-UHFFFAOYSA-N -1 0 367.317 2.764 50 10 FFCARM COc1ccc(NC=C2C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)cc1 ZINC000004797333 506395405 /nfs/dbraw/zinc/39/54/05/506395405.db2.gz PDWYBVFGYQNJCB-WJDWOHSUSA-N -1 0 351.362 2.582 50 10 FFCARM Cc1ccc(N2C(=O)C(=CNc3ccccc3F)C(=O)[N-]C2=S)cc1 ZINC000005595823 506450442 /nfs/dbraw/zinc/45/04/42/506450442.db2.gz ITKAPTSUAJVXIV-RAXLEYEMSA-N -1 0 355.394 2.878 50 10 FFCARM CCOc1ccc(N2C(=O)[N-]C(=O)C(=CNc3ccc(F)cc3)C2=O)cc1 ZINC000013765412 506954662 /nfs/dbraw/zinc/95/46/62/506954662.db2.gz PFXLUAFUTQTGTN-WJDWOHSUSA-N -1 0 369.352 2.803 50 10 FFCARM COc1ccc(N2C(=O)/C(=C/c3ccccc3OC)C(=O)[N-]C2=S)cc1 ZINC000001060284 536657955 /nfs/dbraw/zinc/65/79/55/536657955.db2.gz QLYLWPFNTDJXPM-RVDMUPIBSA-N -1 0 368.414 2.535 50 10 FFCARM COc1cc(C)c(/C=C2\C(=O)[N-]C(=O)N(Cc3ccccc3)C2=O)cc1C ZINC000001170523 1014445926 /nfs/dbraw/zinc/44/59/26/1014445926.db2.gz KZIIFTAQDQTTBY-GZTJUZNOSA-N -1 0 364.401 2.974 50 10 FFCARM O=C1[N-]C(=O)N(c2cccc3ccccc32)C(=O)/C1=C\c1ccc(O)c(O)c1 ZINC000017242514 1022377924 /nfs/dbraw/zinc/37/79/24/1022377924.db2.gz ISJWGZSOJNKATF-GDNBJRDFSA-N -1 0 374.352 2.917 50 10 FFCARM C[C@@H]1CCC[C@H](NC=C2C(=O)[N-]C(=O)N(Cc3ccccc3)C2=O)[C@@H]1C ZINC000020462960 204725405 /nfs/dbraw/zinc/72/54/05/204725405.db2.gz XJMUZMBWWFXJKP-GPZVUBKGSA-N -1 0 355.438 2.563 50 10 FFCARM O=C1[N-]C(=O)N(Cc2ccccc2)C(=O)/C1=C\N1CCCc2ccccc21 ZINC000018158728 132885954 /nfs/dbraw/zinc/88/59/54/132885954.db2.gz MNFWQASJLJPACM-VKAVYKQESA-N -1 0 361.401 2.602 50 10 FFCARM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc2c(c1)OCO2 ZINC000000723621 506229544 /nfs/dbraw/zinc/22/95/44/506229544.db2.gz NCZDMWSFPHRCQS-NTUHNPAUSA-N -1 0 370.748 2.735 50 10 FFCARM CCOc1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc1 ZINC000005332900 506437602 /nfs/dbraw/zinc/43/76/02/506437602.db2.gz VDBQCIYGMFVDSV-ATVHPVEESA-N -1 0 365.389 2.973 50 10 FFCARM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)c(OC)c1 ZINC000001225743 536598288 /nfs/dbraw/zinc/59/82/88/536598288.db2.gz GFJGLMFVQZVQRJ-XNTDXEJSSA-N -1 0 366.373 2.679 50 10 FFCARM CC(=O)OCCCNc1c(C(=O)[O-])ccc2c1C(=O)c1ccccc1C2=O ZINC000004118916 204122417 /nfs/dbraw/zinc/12/24/17/204122417.db2.gz QOIZGAINDCIUPB-UHFFFAOYSA-N -1 0 367.357 2.525 50 10 FFCARM CCn1ncc2ccc([N-]S(=O)(=O)c3cccc4nsnc43)cc21 ZINC000057996881 205247516 /nfs/dbraw/zinc/24/75/16/205247516.db2.gz BIOLGOBGUOIELM-UHFFFAOYSA-N -1 0 359.436 2.862 50 10 FFCARM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)c(C)n1C ZINC000001150662 132380491 /nfs/dbraw/zinc/38/04/91/132380491.db2.gz IFFZJMGANHBOFE-OQLLNIDSSA-N -1 0 357.410 2.612 50 10 FFCARM CCOC(=O)c1c(C)n[nH]c1N=Nc1c(C)[n-]n(-c2ccccc2)c1=O ZINC000103668028 222341391 /nfs/dbraw/zinc/34/13/91/222341391.db2.gz XRKZDEOLFAYVRH-HFGXJBEUSA-N -1 0 354.370 2.770 50 10 FFCARM Cc1ccc(O)c(/C=C2/C(=O)[N-]N(c3ccc(Br)cc3)C2=O)c1 ZINC000033908542 506365321 /nfs/dbraw/zinc/36/53/21/506365321.db2.gz RPHMNTOXOBIHAJ-ZROIWOOFSA-N -1 0 373.206 2.925 50 10 FFCARM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cc(Br)ccc1O ZINC000019202845 507157497 /nfs/dbraw/zinc/15/74/97/507157497.db2.gz DUBQXDRETSIORI-LCYFTJDESA-N -1 0 359.179 2.616 50 10 FFCARM COC(=O)c1ccc(/C=C2/C(=O)[N-]N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000027527774 507662178 /nfs/dbraw/zinc/66/21/78/507662178.db2.gz WZHHIFNTYWHAOZ-GDNBJRDFSA-N -1 0 356.765 2.588 50 10 FFCARM CSc1ccccc1N=Nc1c(=O)[nH][n-]c1C1CCN(C(C)=O)CC1 ZINC000100238917 508239104 /nfs/dbraw/zinc/23/91/04/508239104.db2.gz BUCGYWVFAPDJSR-RJCBAWPRSA-N -1 0 359.455 2.605 50 10 FFCARM COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3)C2=O)cc1 ZINC000001104720 536597215 /nfs/dbraw/zinc/59/72/15/536597215.db2.gz NJTDLSLOOGLOIF-LFIBNONCSA-N -1 0 352.415 2.835 50 10 FFCARM CC[C@@H](C)Cn1c(C)c2c(cc1=O)[n-]n(-c1nc3ccccc3s1)c2=O ZINC000669516778 571179371 /nfs/dbraw/zinc/17/93/71/571179371.db2.gz YZVZFGKBBHGZOI-LLVKDONJSA-O -1 0 369.470 2.510 50 10 FFCARM O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)/C1=C\c1ccc2c(c1)OCO2 ZINC000005091818 975808417 /nfs/dbraw/zinc/80/84/17/975808417.db2.gz SEQGWEINWMHTJH-XFFZJAGNSA-N -1 0 370.748 2.735 50 10 FFCARM CC1=NN(c2ccc(C(=O)[O-])cc2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1[O-] ZINC000015659754 1021940384 /nfs/dbraw/zinc/94/03/84/1021940384.db2.gz RNLGHTGJAREYND-DHDCSXOGSA-N -1 0 367.317 2.805 50 10 FFCARM COc1cc(/C=C2/C(=O)N(c3cccc(C(=O)[O-])c3)N=C2C)ccc1O ZINC000083312896 205103723 /nfs/dbraw/zinc/10/37/23/205103723.db2.gz NCPVLQFUTPGPOM-OVCLIPMQSA-N -1 0 352.346 2.905 50 10 FFCARM CC[C@@H](C)[C@@H]([NH2+]Cc1c([O-])ccc2c3c(c(=O)oc21)CCCC3)C(=O)[O-] ZINC000006830055 206204882 /nfs/dbraw/zinc/20/48/82/206204882.db2.gz UYFNOTJIQGIEIF-PIGZYNQJSA-N -1 0 359.422 2.966 50 10 FFCARM Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(N3CCCC3)o2)C1=O ZINC000001186163 132380874 /nfs/dbraw/zinc/38/08/74/132380874.db2.gz DBUUXPJIHDEXEH-QINSGFPZSA-N -1 0 365.389 2.855 50 10 FFCARM CC(C)c1ccc(N2C(=O)C(=CNN3CCCCC3)C(=O)[N-]C2=S)cc1 ZINC000006782276 132835076 /nfs/dbraw/zinc/83/50/76/132835076.db2.gz YTMFVBROUBYZAW-VBKFSLOCSA-N -1 0 372.494 2.843 50 10 FFCARM CCOc1ccc(/C=C2\SC(=S)N([C@H](C)C(=O)[O-])C2=O)cc1OC ZINC000000967078 506242256 /nfs/dbraw/zinc/24/22/56/506242256.db2.gz PGEWGMAWJYNRBY-PGEKAQRJSA-N -1 0 367.448 2.768 50 10 FFCARM O=C1[N-]C(=O)N(C2CCCC2)C(=O)/C1=C\c1ccc(N2CCCC2)cc1 ZINC000001105160 506250539 /nfs/dbraw/zinc/25/05/39/506250539.db2.gz HAOXBLQFOQDQGW-LGMDPLHJSA-N -1 0 353.422 2.691 50 10 FFCARM COc1ccc(/C=C2/SC(=S)N(CCCC(=O)[O-])C2=O)cc1OC ZINC000001297903 506258423 /nfs/dbraw/zinc/25/84/23/506258423.db2.gz IJWKSBPTJQMUHJ-UKTHLTGXSA-N -1 0 367.448 2.770 50 10 FFCARM CCN(CC)c1ccc(/C=C2/C(=O)[N-]C(=O)N(c3cccnc3)C2=O)cc1 ZINC000004677152 506387506 /nfs/dbraw/zinc/38/75/06/506387506.db2.gz SOTODIXMOBWQRC-ATVHPVEESA-N -1 0 364.405 2.594 50 10 FFCARM Cn1cccc1C=C1C(=O)[N-]C(=O)N(c2ccc(Br)cc2)C1=O ZINC000009041688 506680299 /nfs/dbraw/zinc/68/02/99/506680299.db2.gz FGEDDUJAJBHVFZ-LCYFTJDESA-N -1 0 374.194 2.658 50 10 FFCARM COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c(OC)c1 ZINC000015659270 507054155 /nfs/dbraw/zinc/05/41/55/507054155.db2.gz ZYSCZVQIXITRLS-YBEGLDIGSA-N -1 0 366.373 2.679 50 10 FFCARM COc1cc(/C=C2/C(=O)[N-]N(c3ccc(F)cc3)C2=O)cc(Cl)c1O ZINC000015658713 507054521 /nfs/dbraw/zinc/05/45/21/507054521.db2.gz UPIRBAVLOCIMFU-SDQBBNPISA-N -1 0 362.744 2.655 50 10 FFCARM COc1ccccc1/C=C1/C(=O)[N-]C(=S)N(c2ccccc2F)C1=O ZINC000015798922 507061198 /nfs/dbraw/zinc/06/11/98/507061198.db2.gz XRGHUXQRMXSQAO-BENRWUELSA-N -1 0 356.378 2.666 50 10 FFCARM O=C1[N-]C(=S)N(c2ccccc2Cl)C(=O)C1=CNN1CCCCC1 ZINC000020024168 507208523 /nfs/dbraw/zinc/20/85/23/507208523.db2.gz CESZYTJBMPBHBR-KHPPLWFESA-N -1 0 364.858 2.802 50 10 FFCARM CCOc1cc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)cc(Cl)c1O ZINC000001199613 727774264 /nfs/dbraw/zinc/77/42/64/727774264.db2.gz NOUWXUCRPTWRBZ-MDWZMJQESA-N -1 0 358.781 2.906 50 10 FFCARM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccccc3)C2=O)cc1C ZINC000001181875 1014447973 /nfs/dbraw/zinc/44/79/73/1014447973.db2.gz QHCIPTKLFXHWFQ-LFIBNONCSA-N -1 0 350.374 2.666 50 10 FFCARM CCc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc1 ZINC000015722887 1021959256 /nfs/dbraw/zinc/95/92/56/1021959256.db2.gz YSEZCPMXOQNXAR-ATVHPVEESA-N -1 0 350.374 2.924 50 10 FFCARM CC[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(OC)cc2OC)SC1=S ZINC000001805080 204020180 /nfs/dbraw/zinc/02/01/80/204020180.db2.gz JTMHWUQRWYGWFD-HKMIMPICSA-N -1 0 367.448 2.768 50 10 FFCARM O=C([O-])CN1C(=O)/C(=C/c2cc([N+](=O)[O-])ccc2Cl)SC1=S ZINC000002897440 204066301 /nfs/dbraw/zinc/06/63/01/204066301.db2.gz BWPWULDRWQFRMW-WTKPLQERSA-N -1 0 358.784 2.534 50 10 FFCARM COc1ccc2nc(/C=C3\SC(=S)N(CCC(=O)[O-])C3=O)ccc2c1 ZINC000006660752 204259374 /nfs/dbraw/zinc/25/93/74/204259374.db2.gz QMOFGFWJIDRSBJ-ZROIWOOFSA-N -1 0 374.443 2.919 50 10 FFCARM COc1ccc(N2CCCN(C(=O)c3cccc([N+](=O)[O-])c3[O-])CC2)cc1 ZINC000130430827 206126608 /nfs/dbraw/zinc/12/66/08/206126608.db2.gz PROBTEQSNFVIMZ-UHFFFAOYSA-N -1 0 371.393 2.662 50 10 FFCARM COc1ccc(OC)c(N2C(=O)[N-]C(=O)C(=Cc3cccs3)C2=O)c1 ZINC000000986661 132379421 /nfs/dbraw/zinc/37/94/21/132379421.db2.gz ATGUXLPBNYPHHP-FMIVXFBMSA-N -1 0 358.375 2.636 50 10 FFCARM O=C1[N-]C(=S)N(c2ccccc2)C(=O)/C1=C/c1ccc(O)c(Cl)c1 ZINC000001219400 132381183 /nfs/dbraw/zinc/38/11/83/132381183.db2.gz CTEDAORQYWZERK-XYOKQWHBSA-N -1 0 358.806 2.877 50 10 FFCARM O=S(=O)([N-]c1ccc(Br)cc1)c1cccc2nonc21 ZINC000000653179 506226088 /nfs/dbraw/zinc/22/60/88/506226088.db2.gz ICPRNDCTHGJHOZ-UHFFFAOYSA-N -1 0 354.185 2.786 50 10 FFCARM O=C([O-])CN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S ZINC000000966839 506242519 /nfs/dbraw/zinc/24/25/19/506242519.db2.gz GRUJFJUZJHYCKW-UITAMQMPSA-N -1 0 358.238 2.735 50 10 FFCARM O=C1[N-]C(=O)C(=Cc2ccc(OCc3cccc(F)c3)c(Cl)c2)C(=O)N1 ZINC000001175768 506254935 /nfs/dbraw/zinc/25/49/35/506254935.db2.gz SMRSZIYCJOPNBX-UHFFFAOYSA-N -1 0 374.755 2.808 50 10 FFCARM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)ccc1O ZINC000004704553 506389170 /nfs/dbraw/zinc/38/91/70/506389170.db2.gz CAEPRXUWJYEGMF-OQLLNIDSSA-N -1 0 366.373 2.684 50 10 FFCARM CCOc1cc(/C=C2\SC(=S)N(CCC(=O)[O-])C2=O)ccc1OC ZINC000013343432 506938820 /nfs/dbraw/zinc/93/88/20/506938820.db2.gz KYLVWRCHXQIXCL-LCYFTJDESA-N -1 0 367.448 2.770 50 10 FFCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=CNc3ccc(O)cc3C)C2=O)cc1 ZINC000015930214 507066170 /nfs/dbraw/zinc/06/61/70/507066170.db2.gz OITPHZGZDGMBQI-GDNBJRDFSA-N -1 0 351.362 2.588 50 10 FFCARM Cc1cc(C)c(N2C(=O)[N-]C(=O)C(=CNc3cccc(O)c3)C2=O)c(C)c1 ZINC000016511406 507093778 /nfs/dbraw/zinc/09/37/78/507093778.db2.gz UQEJDFQRKDCAPA-MHWRWJLKSA-N -1 0 365.389 2.896 50 10 FFCARM COc1cccc(N2C(=O)[N-]C(=O)C(=CNc3cccc(Cl)c3)C2=O)c1 ZINC000017086497 507117055 /nfs/dbraw/zinc/11/70/55/507117055.db2.gz JSDXQOLCVUOESK-GDNBJRDFSA-N -1 0 371.780 2.927 50 10 FFCARM CCN1c2ccccc2S/C1=C1\SC(=S)N(CC(=O)[O-])C1=O ZINC000031361857 507819203 /nfs/dbraw/zinc/81/92/03/507819203.db2.gz JIGTUJHXEHURKA-QBFSEMIESA-N -1 0 352.462 2.733 50 10 FFCARM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c(OC)c1 ZINC000001192768 536597382 /nfs/dbraw/zinc/59/73/82/536597382.db2.gz ZYSCZVQIXITRLS-MHWRWJLKSA-N -1 0 366.373 2.679 50 10 FFCARM O=C1[N-]C(=S)N(c2ccc(F)cc2)C(=O)C1=CNc1ccc(F)cc1 ZINC000103843372 570852666 /nfs/dbraw/zinc/85/26/66/570852666.db2.gz ZQVCPHRNMNHUND-NTEUORMPSA-N -1 0 359.357 2.709 50 10 FFCARM O=C([O-])CCCN1C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)SC1=S ZINC000001774574 209392678 /nfs/dbraw/zinc/39/26/78/209392678.db2.gz FTXCCIDLZNCNAX-DHZHZOJOSA-N -1 0 352.393 2.661 50 10 FFCARM O=C1[N-]C(=O)C(=CNc2cc(Cl)ccc2Oc2ccccc2)C(=O)N1 ZINC000100606886 209214901 /nfs/dbraw/zinc/21/49/01/209214901.db2.gz XDKJRWRHVHWFPY-UHFFFAOYSA-N -1 0 357.753 2.794 50 10 FFCARM COC(=O)Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1C(C)=Nc1cccnc1 ZINC000100423403 209212909 /nfs/dbraw/zinc/21/29/09/209212909.db2.gz IAJATPKWPZOJBL-PDGQHHTCSA-N -1 0 368.368 2.873 50 10 FFCARM COc1ccc(/N=N/c2ccccc2)cc1S(=O)(=O)NCCC(=O)[O-] ZINC000217338478 206758970 /nfs/dbraw/zinc/75/89/70/206758970.db2.gz HJBQEDUSARSMSJ-VHEBQXMUSA-N -1 0 363.395 2.864 50 10 FFCARM Cc1nc(-c2ccccc2)nc2sc(C(=O)N3CCOCC3)c([O-])c21 ZINC000013690790 207476765 /nfs/dbraw/zinc/47/67/65/207476765.db2.gz KDEBJXCTBUBWMM-UHFFFAOYSA-N -1 0 355.419 2.845 50 10 FFCARM COC(=O)c1ccc(/C=C2/SC(=S)N(CCCC(=O)[O-])C2=O)cc1 ZINC000026466140 207915854 /nfs/dbraw/zinc/91/58/54/207915854.db2.gz SFYAGEVJBPCZQY-FMIVXFBMSA-N -1 0 365.432 2.539 50 10 FFCARM O=C([O-])CN1C(=O)/C(=C/c2ccc(OC(F)(F)F)cc2)SC1=S ZINC000071814391 208184332 /nfs/dbraw/zinc/18/43/32/208184332.db2.gz UTRSAQNESJKTMI-UITAMQMPSA-N -1 0 363.338 2.871 50 10 FFCARM Cc1cccc(N2C(=O)C(=CNc3ccccc3F)C(=O)[N-]C2=S)c1 ZINC000013382260 132867386 /nfs/dbraw/zinc/86/73/86/132867386.db2.gz OCAFIQKSBPTGKK-JLHYYAGUSA-N -1 0 355.394 2.878 50 10 FFCARM Cc1ccc(S(=O)(=O)[N-]c2sc3c(c2C(N)=O)CCCC3)cc1 ZINC000001037251 506244081 /nfs/dbraw/zinc/24/40/81/506244081.db2.gz TYSREBPYCXJABW-UHFFFAOYSA-N -1 0 350.465 2.835 50 10 FFCARM Cc1cc(O)ccc1NC=C1C(=O)[N-]C(=O)N(c2cccc(Cl)c2)C1=O ZINC000006076152 506466331 /nfs/dbraw/zinc/46/63/31/506466331.db2.gz IQUYTKVMZJHNIH-ZROIWOOFSA-N -1 0 371.780 2.933 50 10 FFCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=CNCCC3=CCCCC3)C2=O)cc1 ZINC000006858096 506511829 /nfs/dbraw/zinc/51/18/29/506511829.db2.gz FDYKHQANRJACNC-LGMDPLHJSA-N -1 0 353.422 2.942 50 10 FFCARM COc1cccc(/C=C2/C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)c1O ZINC000015012304 507011516 /nfs/dbraw/zinc/01/15/16/507011516.db2.gz DIQTTXAHYVMYBX-GDNBJRDFSA-N -1 0 366.373 2.684 50 10 FFCARM C[C@H]([NH2+]Cc1c([O-])ccc2c(=O)c(Oc3ccccc3)coc21)C(=O)[O-] ZINC000019702943 507193033 /nfs/dbraw/zinc/19/30/33/507193033.db2.gz NTFZCLCPHOBFSK-NSHDSACASA-N -1 0 355.346 2.854 50 10 biogenic FFCARM Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(S(C)(=O)=O)cc1 ZINC000102145882 209233817 /nfs/dbraw/zinc/23/38/17/209233817.db2.gz CYHVMRXVVMYOOD-VRTBNJGNSA-N -1 0 356.407 2.965 50 10 FFCARM COC(=O)c1ccc(/C=C2\SC(=S)N(CCCC(=O)[O-])C2=O)cc1 ZINC000001208567 206868323 /nfs/dbraw/zinc/86/83/23/206868323.db2.gz SFYAGEVJBPCZQY-XFXZXTDPSA-N -1 0 365.432 2.539 50 10 FFCARM Cc1cc([O-])c(Sc2nc[nH]n2)cc1NS(=O)(=O)c1ccccc1 ZINC000004735821 207042971 /nfs/dbraw/zinc/04/29/71/207042971.db2.gz SKWYNFBOWUSZCC-UHFFFAOYSA-N -1 0 362.436 2.771 50 10 FFCARM COc1cccc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)c1OC(C)C ZINC000004815330 207051671 /nfs/dbraw/zinc/05/16/71/207051671.db2.gz GVANKWSRWFLLMV-FOWTUZBSSA-N -1 0 352.390 2.944 50 10 FFCARM Nc1ccccc1NC=C1C(=O)[N-]C(=O)N(CCC2=CCCCC2)C1=O ZINC000006896531 207175682 /nfs/dbraw/zinc/17/56/82/207175682.db2.gz GXVDGLYHVXQMDR-WYMLVPIESA-N -1 0 354.410 2.534 50 10 FFCARM Cc1cccc(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])s3)C(=O)[N-]C2=S)c1 ZINC000004833673 132255006 /nfs/dbraw/zinc/25/50/06/132255006.db2.gz YAAUTAXFJOGMSQ-WQLSENKSSA-N -1 0 373.415 2.796 50 10 FFCARM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3)C2=O)ccc1O ZINC000001195315 132380971 /nfs/dbraw/zinc/38/09/71/132380971.db2.gz PMXNOHMCAOBKKK-NTEUORMPSA-N -1 0 368.414 2.541 50 10 FFCARM C[C@H]1CCc2c(sc([N-]S(=O)(=O)c3ccc(F)cc3)c2C(N)=O)C1 ZINC000007409928 506560364 /nfs/dbraw/zinc/56/03/64/506560364.db2.gz BMCYOVMGRRXZGG-VIFPVBQESA-N -1 0 368.455 2.912 50 10 FFCARM COc1ccc(/C=C2/C(=O)[N-]N(c3ccc(Br)cc3)C2=O)cc1 ZINC000013477230 506943557 /nfs/dbraw/zinc/94/35/57/506943557.db2.gz YUEJIACDPZBZLI-GDNBJRDFSA-N -1 0 373.206 2.919 50 10 FFCARM COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)c(OC)c1 ZINC000015835768 507062559 /nfs/dbraw/zinc/06/25/59/507062559.db2.gz CSHOXPAZXUQLHP-LCYFTJDESA-N -1 0 370.336 2.509 50 10 FFCARM CC(=O)Oc1cccc(/C=C2/C(=O)[N-]N(c3ccc(F)c(Cl)c3)C2=O)c1 ZINC000016183067 507077900 /nfs/dbraw/zinc/07/79/00/507077900.db2.gz KUWGDKJSPHNLQN-ZSOIEALJSA-N -1 0 374.755 2.866 50 10 FFCARM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1coc2ccc(Cl)cc2c1=O ZINC000016956923 507109070 /nfs/dbraw/zinc/10/90/70/507109070.db2.gz MRGNXGNQNABPBZ-NVNXTCNLSA-N -1 0 366.760 2.908 50 10 FFCARM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(O)c(OC)c3)C2=O)cc1 ZINC000001201238 536184333 /nfs/dbraw/zinc/18/43/33/536184333.db2.gz XHTYXDUIHCSFBV-XNTDXEJSSA-N -1 0 366.373 2.630 50 10 FFCARM COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C)c3)C2=O)cc1O ZINC000001197501 536598002 /nfs/dbraw/zinc/59/80/02/536598002.db2.gz URNZXVRVKRQMHN-NTEUORMPSA-N -1 0 368.414 2.541 50 10 FFCARM CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(N(C)C)cc2)C1=O ZINC000002205645 971657556 /nfs/dbraw/zinc/65/75/56/971657556.db2.gz KZMFPHKKTCYAPY-GHRIWEEISA-N -1 0 363.417 2.981 50 10 FFCARM COC(=O)Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1C(C)=Nc1ccccn1 ZINC000100423572 209213038 /nfs/dbraw/zinc/21/30/38/209213038.db2.gz JOCGEBHOJVMTAG-PDGQHHTCSA-N -1 0 368.368 2.873 50 10 FFCARM COc1ccc(/C=C2\C(=O)[N-]N(c3ccc(Cl)cc3)C2=O)c(OC)c1 ZINC000004180358 207007124 /nfs/dbraw/zinc/00/71/24/207007124.db2.gz XHWTXDWPCCAZTP-OQLLNIDSSA-N -1 0 358.781 2.819 50 10 FFCARM COc1cc(/C=C2/SC(=S)N([C@@H](C(=O)[O-])C(C)C)C2=O)ccc1O ZINC000033373186 208089665 /nfs/dbraw/zinc/08/96/65/208089665.db2.gz HDMVRUHSNFQVDW-BWODNOAJSA-N -1 0 367.448 2.711 50 10 FFCARM COc1cc(C=C2C(=O)OC(C)(C(C)(C)C)OC2=O)cc([N+](=O)[O-])c1[O-] ZINC000001185764 506254080 /nfs/dbraw/zinc/25/40/80/506254080.db2.gz WHKNZDBWVAYMGO-UHFFFAOYSA-N -1 0 365.338 2.555 50 10 FFCARM O=C1[N-]N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(O)cc1O ZINC000001188299 506254857 /nfs/dbraw/zinc/25/48/57/506254857.db2.gz SASJWEUWYFPTBJ-VZUCSPMQSA-N -1 0 365.172 2.866 50 10 FFCARM Cc1ccc(N2[N-]C(=O)/C(=C\c3cc(Br)ccc3O)C2=O)cc1 ZINC000003148632 506311599 /nfs/dbraw/zinc/31/15/99/506311599.db2.gz JWGHDYRIQKCNAB-NTEUORMPSA-N -1 0 373.206 2.925 50 10 FFCARM Cc1n[nH]c(C)c1/C=C/c1nc2ccccc2c(=O)n1CCCC(=O)[O-] ZINC000065565204 506323213 /nfs/dbraw/zinc/32/32/13/506323213.db2.gz XUJPRFTVFKMIHQ-MDZDMXLPSA-N -1 0 352.394 2.772 50 10 FFCARM O=C1[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)C1=Cc1ccc(O)cc1 ZINC000004819557 506396655 /nfs/dbraw/zinc/39/66/55/506396655.db2.gz DLYFSGGFGCYNOI-NTEUORMPSA-N -1 0 353.290 2.807 50 10 FFCARM Cc1ccc(C)c(N2C(=O)C(=CNCc3ccccc3)C(=O)[N-]C2=S)c1 ZINC000005886341 506459972 /nfs/dbraw/zinc/45/99/72/506459972.db2.gz UDPUMLRDYGGKKH-FOWTUZBSSA-N -1 0 365.458 2.725 50 10 FFCARM O=C([O-])CN1C(=O)/C(=C\c2ccccc2OC(F)(F)F)SC1=S ZINC000013269131 506936098 /nfs/dbraw/zinc/93/60/98/506936098.db2.gz UJDXNGDCLDZTRG-WEVVVXLNSA-N -1 0 363.338 2.871 50 10 FFCARM Cc1ccc(O)c(/C=C2/C(=O)[N-]N(c3cccc(Br)c3)C2=O)c1 ZINC000013942462 506958629 /nfs/dbraw/zinc/95/86/29/506958629.db2.gz IVSZCZGQMFPAAO-ZSOIEALJSA-N -1 0 373.206 2.925 50 10 FFCARM CCC[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(O)c(OC)c2)SC1=S ZINC000027229097 507640916 /nfs/dbraw/zinc/64/09/16/507640916.db2.gz JPXWFFXESCCWTD-XNFYSYIQSA-N -1 0 367.448 2.855 50 10 FFCARM O=C([O-])c1cc(Br)cc(CNC(=O)c2ccccc2)c1O ZINC000000186805 209373228 /nfs/dbraw/zinc/37/32/28/209373228.db2.gz QSFIQIIUBUQZFM-UHFFFAOYSA-N -1 0 350.168 2.783 50 10 FFCARM COc1ccc(OC)c(N2C(=O)[N-]C(=O)C(=Cc3ccc(C)s3)C2=O)c1 ZINC000000986675 132379406 /nfs/dbraw/zinc/37/94/06/132379406.db2.gz IUMDIRSOTMHWFH-UKTHLTGXSA-N -1 0 372.402 2.740 50 10 FFCARM O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C\C=C\c1cccc([N+](=O)[O-])c1 ZINC000005061678 132826208 /nfs/dbraw/zinc/82/62/08/132826208.db2.gz LBAFSUHUCQGWCP-PFKGSKDKSA-N -1 0 363.329 2.817 50 10 FFCARM COc1ccc(CN2C(=O)[N-]C(=O)C(=Cc3ccc([N+](=O)[O-])o3)C2=O)cc1 ZINC000001309720 506257896 /nfs/dbraw/zinc/25/78/96/506257896.db2.gz FDMVPVMYMRUYSC-MDWZMJQESA-N -1 0 371.305 2.699 50 10 FFCARM CSCC[C@H](C(=O)[O-])N1C(=O)/C(=C/c2cccc(O)c2)SC1=S ZINC000001786467 506268941 /nfs/dbraw/zinc/26/89/41/506268941.db2.gz GUDOSHXDNHLWRU-HQQGHWSLSA-N -1 0 369.489 2.800 50 10 FFCARM O=C1NC(=S)SC1=Cc1cccc(C=C2SC(=S)NC2=O)c1 ZINC000003845186 506350092 /nfs/dbraw/zinc/35/00/92/506350092.db2.gz AYGXCXUMHDVVJU-OZDSWYPASA-N -1 0 364.498 2.664 50 10 FFCARM C[C@@H]1C[C@@H](C)CCN1c1ccc([N+](=O)[O-])cc1C=C1C(=O)[N-]C(=O)NC1=O ZINC000004181708 506364754 /nfs/dbraw/zinc/36/47/54/506364754.db2.gz VHLWLNSUOHUUMG-WDEREUQCSA-N -1 0 372.381 2.809 50 10 FFCARM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc([N+](=O)[O-])o1 ZINC000005043636 506417623 /nfs/dbraw/zinc/41/76/23/506417623.db2.gz OMIIVUNBBSGRFP-XFFZJAGNSA-N -1 0 361.697 2.508 50 10 FFCARM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)C1=CNCc1ccc(F)cc1 ZINC000005649344 506452883 /nfs/dbraw/zinc/45/28/83/506452883.db2.gz WCMVPOWNLYQKTE-GDNBJRDFSA-N -1 0 373.771 2.736 50 10 FFCARM Cc1cc([N+](=O)[O-])cc([C@@H]2[NH2+][C@@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)c1[O-] ZINC000012659846 506887713 /nfs/dbraw/zinc/88/77/13/506887713.db2.gz CTIPGICZGLESJX-WBVHZDCISA-N -1 0 367.361 2.778 50 10 biogenic FFCARM Cc1nc2c(C(=O)NCc3ccccc3Cl)c[n-]n2c(=O)c1Cl ZINC000013132985 506930628 /nfs/dbraw/zinc/93/06/28/506930628.db2.gz ZBAXVXRUUDNYEW-UHFFFAOYSA-N -1 0 351.193 2.980 50 10 FFCARM Cc1cc(/C=C2/C(=O)[N-]C(=O)N(C)C2=O)c(C)n1-c1cc(C)cc(C)c1 ZINC000013899293 506958575 /nfs/dbraw/zinc/95/85/75/506958575.db2.gz UEIQGLGPUCOYPS-YVLHZVERSA-N -1 0 351.406 2.803 50 10 FFCARM COCCn1c(C)cc(C=C2C(=O)[N-]C(=O)N(C3CCCCC3)C2=O)c1C ZINC000017138023 507116689 /nfs/dbraw/zinc/11/66/89/507116689.db2.gz NCOARQBZBTXEMN-ATVHPVEESA-N -1 0 373.453 2.750 50 10 FFCARM COc1cc(/C=C2\SC(=S)N(CC(=O)[O-])C2=O)ccc1SC ZINC000060211050 507518868 /nfs/dbraw/zinc/51/88/68/507518868.db2.gz PDEMACSNVFDSTH-WDZFZDKYSA-N -1 0 355.462 2.703 50 10 FFCARM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc1OC ZINC000001200920 536598063 /nfs/dbraw/zinc/59/80/63/536598063.db2.gz HZKKVFCRJOHYHF-NTEUORMPSA-N -1 0 370.336 2.509 50 10 FFCARM COc1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000103843409 570852859 /nfs/dbraw/zinc/85/28/59/570852859.db2.gz CVJWSCIQILGMSP-XNTDXEJSSA-N -1 0 371.780 2.927 50 10 FFCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(C)c([N+](=O)[O-])c3)C2=O)cc1 ZINC000005061466 975737957 /nfs/dbraw/zinc/73/79/57/975737957.db2.gz ZWPSQQHYBPISSV-DHDCSXOGSA-N -1 0 365.345 2.878 50 10 FFCARM CCN1C(=O)[N-]C(=O)/C(=C\c2cc(C)n(-c3ccccc3F)c2C)C1=O ZINC000001152205 1014441442 /nfs/dbraw/zinc/44/14/42/1014441442.db2.gz ZTMMRJAVFIVWRU-GXDHUFHOSA-N -1 0 355.369 2.715 50 10 FFCARM CCN(CC)c1ccc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)c(O)c1 ZINC000004608560 207031974 /nfs/dbraw/zinc/03/19/74/207031974.db2.gz ZEXKKWCZUWMMOZ-SFQUDFHCSA-N -1 0 351.406 2.700 50 10 FFCARM COCCCN1C(=O)C(=CNc2cccc(C(=O)[O-])c2)SC1=S ZINC000008993317 207253607 /nfs/dbraw/zinc/25/36/07/207253607.db2.gz HINOVNBMMYQFHP-FMIVXFBMSA-N -1 0 352.437 2.535 50 10 FFCARM CC1=NN(c2cccc(C(=O)[O-])c2)C(=O)/C1=C\c1ccc2c(c1)OCO2 ZINC000016694589 207592821 /nfs/dbraw/zinc/59/28/21/207592821.db2.gz SDTALAAOTIVAGO-CHHVJCJISA-N -1 0 350.330 2.920 50 10 FFCARM O=C1[N-]C(=O)N(c2ccccc2)C(=O)C1=CNC12CC3CC(CC(C3)C1)C2 ZINC000100437801 132232793 /nfs/dbraw/zinc/23/27/93/132232793.db2.gz DDFFJWCWYZHPDG-ATVHPVEESA-N -1 0 365.433 2.712 50 10 FFCARM COc1ccc(OC)c(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)c1 ZINC000001192850 132380916 /nfs/dbraw/zinc/38/09/16/132380916.db2.gz YKWNWIJJWQPWJT-LFIBNONCSA-N -1 0 366.373 2.679 50 10 FFCARM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(F)cc3)C2=O)cc1 ZINC000000723601 506230244 /nfs/dbraw/zinc/23/02/44/506230244.db2.gz NRXZPOSFQVNJJJ-LFIBNONCSA-N -1 0 354.337 2.891 50 10 FFCARM CCOc1cc(/C=C2/SC(=S)N(CCC(=O)[O-])C2=O)ccc1OC ZINC000003300233 506320342 /nfs/dbraw/zinc/32/03/42/506320342.db2.gz KYLVWRCHXQIXCL-UKTHLTGXSA-N -1 0 367.448 2.770 50 10 FFCARM O=C([N-]N1C(=O)/C(=C\c2cccc(O)c2)SC1=S)c1cccs1 ZINC000003773556 506350208 /nfs/dbraw/zinc/35/02/08/506350208.db2.gz ORJWJOWYOGHREP-XYOKQWHBSA-N -1 0 362.457 3.000 50 10 FFCARM CCOC(=O)c1ccc(N2[N-]C(=O)/C(=C/C=C\c3ccccc3)C2=O)cc1 ZINC000033295382 506355041 /nfs/dbraw/zinc/35/50/41/506355041.db2.gz OMJGKDXPHGDPBT-BRMXFPEKSA-N -1 0 362.385 2.881 50 10 FFCARM O=C([O-])CCN1C(=O)/C(=C/c2ccccc2OC(F)F)SC1=S ZINC000004318453 506371179 /nfs/dbraw/zinc/37/11/79/506371179.db2.gz WLGRRTLNVGVMQF-YFHOEESVSA-N -1 0 359.375 2.964 50 10 FFCARM C[C@H]1CCc2c(sc([N-]S(=O)(=O)c3ccccc3)c2C(N)=O)C1 ZINC000013071634 506926584 /nfs/dbraw/zinc/92/65/84/506926584.db2.gz OTYITGCIULEXBH-JTQLQIEISA-N -1 0 350.465 2.773 50 10 FFCARM Cc1ccc(/C=C2\SC(=S)N(CCC(=O)[O-])C2=O)cc1[N+](=O)[O-] ZINC000013343472 506939470 /nfs/dbraw/zinc/93/94/70/506939470.db2.gz KPLNQDQBUVMVDS-XFFZJAGNSA-N -1 0 352.393 2.579 50 10 FFCARM CCc1cccc2c(/C=C3/C(=O)[N-]C(=O)N(Cc4ccco4)C3=O)c[nH]c21 ZINC000016266849 507078332 /nfs/dbraw/zinc/07/83/32/507078332.db2.gz ZEIWGCKUUWNQAQ-SXGWCWSVSA-N -1 0 363.373 2.985 50 10 FFCARM COc1ccc([N-]S(=O)(=O)c2cccc3nsnc32)cc1OC ZINC000002928082 206946666 /nfs/dbraw/zinc/94/66/66/206946666.db2.gz RAUSPIUJPSYNSG-UHFFFAOYSA-N -1 0 351.409 2.509 50 10 FFCARM COc1cccc(/C=C2/C(=O)[N-]N(c3ccc(F)c(Cl)c3)C2=O)c1O ZINC000005200442 207086585 /nfs/dbraw/zinc/08/65/85/207086585.db2.gz SFWPGHBRYNGUQO-XFFZJAGNSA-N -1 0 362.744 2.655 50 10 FFCARM CC(=O)NC1=NC(=O)/C(=C\c2ccc(-c3ccccc3C(=O)[O-])o2)S1 ZINC000005789474 207116116 /nfs/dbraw/zinc/11/61/16/207116116.db2.gz RCDPXECGGHRFJU-RIYZIHGNSA-N -1 0 356.359 2.751 50 10 FFCARM O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1ccc2c(c1)OCO2 ZINC000001177512 132380621 /nfs/dbraw/zinc/38/06/21/132380621.db2.gz SEQGWEINWMHTJH-YRNVUSSQSA-N -1 0 370.748 2.735 50 10 FFCARM COc1cccc(N2C(=O)/C(=C/c3ccc(C)s3)C(=O)[N-]C2=S)c1 ZINC000001197568 132381033 /nfs/dbraw/zinc/38/10/33/132381033.db2.gz IXSCPKYVULGTPG-NTEUORMPSA-N -1 0 358.444 2.896 50 10 FFCARM COc1ccc(OC)c(N2C(=O)[N-]C(=O)C(=CC=Cc3ccco3)C2=O)c1 ZINC000002277093 132383086 /nfs/dbraw/zinc/38/30/86/132383086.db2.gz SAXIHYRQBAZXDF-VWQNNZLTSA-N -1 0 368.345 2.519 50 10 FFCARM C=C(c1ccc(C)c(C)c1)C1SC(=S)N(CCS(=O)(=O)[O-])C1=O ZINC000005372372 506439000 /nfs/dbraw/zinc/43/90/00/506439000.db2.gz MLYGCAOYINAIBB-ACCUITESSA-N -1 0 371.505 2.783 50 10 FFCARM CCCCN1C(=O)[N-]C(=O)C(=CNc2ccc(N(CC)CC)cc2)C1=O ZINC000006783082 506507719 /nfs/dbraw/zinc/50/77/19/506507719.db2.gz ZTVDIGUACRWWPO-SSZFMOIBSA-N -1 0 358.442 2.707 50 10 FFCARM C[C@@H]1CCc2c(sc([N-]S(=O)(=O)c3cccc(F)c3)c2C(N)=O)C1 ZINC000007409929 506559851 /nfs/dbraw/zinc/55/98/51/506559851.db2.gz IYTJXSWWEVMOCV-SECBINFHSA-N -1 0 368.455 2.912 50 10 FFCARM Cc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)c(C)n1C ZINC000013551737 506945459 /nfs/dbraw/zinc/94/54/59/506945459.db2.gz ZMNFFLWRBSJYBZ-LCYFTJDESA-N -1 0 357.410 2.612 50 10 FFCARM COc1cc(/C=C2/C(=O)[N-]N(c3ccc(F)c(Cl)c3)C2=O)ccc1O ZINC000015659772 507053773 /nfs/dbraw/zinc/05/37/73/507053773.db2.gz QIOVFDFEGJTFRP-WDZFZDKYSA-N -1 0 362.744 2.655 50 10 FFCARM CC1=NN(c2nnn[n-]2)C(=O)C1=Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000102653267 570835336 /nfs/dbraw/zinc/83/53/36/570835336.db2.gz FPPFBEVJUVVIMP-MDWZMJQESA-N -1 0 354.757 2.919 50 10 FFCARM CC(C)CN1C(=O)c2ccc(C(=O)Nc3ccccc3C(=O)[O-])cc2C1=O ZINC000001064390 219363055 /nfs/dbraw/zinc/36/30/55/219363055.db2.gz FNIJVKVXDQUCAH-UHFFFAOYSA-N -1 0 366.373 2.889 50 10 FFCARM Cc1cc(C=C2C(=O)[N-]C(=O)NC2=O)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000001163520 219383671 /nfs/dbraw/zinc/38/36/71/219383671.db2.gz RIPGZOLVSBMAMO-UHFFFAOYSA-N -1 0 361.760 2.636 50 10 FFCARM COc1cc(Cl)cc(/C=C2/C(=O)[N-]N(c3ccc(F)cc3)C2=O)c1O ZINC000005675346 207112266 /nfs/dbraw/zinc/11/22/66/207112266.db2.gz MRYIQTOQNAPNFB-QPEQYQDCSA-N -1 0 362.744 2.655 50 10 FFCARM O=C1[N-]C(=O)C(=Cc2ccc(OCc3cccc(Cl)c3)cc2)C(=O)N1 ZINC000004060632 263331278 /nfs/dbraw/zinc/33/12/78/263331278.db2.gz ZRINMHRKLBYSFL-UHFFFAOYSA-N -1 0 356.765 2.668 50 10 FFCARM O=C1[N-]C(=S)N(c2ccccc2Cl)C(=O)/C1=C/c1ccc(O)cc1 ZINC000004689414 506387723 /nfs/dbraw/zinc/38/77/23/506387723.db2.gz SXSWMFLWUAEKGM-FMIVXFBMSA-N -1 0 358.806 2.877 50 10 FFCARM O=C([O-])CN1C(=O)/C(=C\c2ccc(OC(F)(F)F)cc2)SC1=S ZINC000013279024 506935655 /nfs/dbraw/zinc/93/56/55/506935655.db2.gz UTRSAQNESJKTMI-WEVVVXLNSA-N -1 0 363.338 2.871 50 10 FFCARM COc1cccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c1O ZINC000015012316 507011805 /nfs/dbraw/zinc/01/18/05/507011805.db2.gz ZCEZOKTUDFHIGD-LCYFTJDESA-N -1 0 372.764 2.721 50 10 FFCARM CCOC(=O)c1ccc(NC(=S)NNc2ccc(C(=O)[O-])cc2)cc1 ZINC000016190905 507077647 /nfs/dbraw/zinc/07/76/47/507077647.db2.gz BRWPLMSUHUMEND-UHFFFAOYSA-N -1 0 359.407 2.875 50 10 FFCARM COc1ccc(NC=C2C(=O)[N-]C(=S)N(c3ccc(C)cc3)C2=O)cc1 ZINC000005595822 1010120589 /nfs/dbraw/zinc/12/05/89/1010120589.db2.gz VOGBGYIGIVOYNB-WJDWOHSUSA-N -1 0 367.430 2.747 50 10 FFCARM CCOc1ccc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)cc1OCC ZINC000001158279 219383273 /nfs/dbraw/zinc/38/32/73/219383273.db2.gz QJTQDAZADRVUBD-MDWZMJQESA-N -1 0 367.448 2.770 50 10 FFCARM O=C([O-])CCCN1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)SC1=S ZINC000001774575 206895424 /nfs/dbraw/zinc/89/54/24/206895424.db2.gz FTXCCIDLZNCNAX-FLIBITNWSA-N -1 0 352.393 2.661 50 10 FFCARM COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C/c1ccc(C(=O)[O-])cc1 ZINC000005864902 207121061 /nfs/dbraw/zinc/12/10/61/207121061.db2.gz FNFKPRUOPAVSKA-MHWRWJLKSA-N -1 0 367.357 2.851 50 10 FFCARM O=C1[N-]C(=O)N(CCc2ccc(F)cc2)C(=O)C1=Cc1ccc(O)c(O)c1 ZINC000008994716 207253970 /nfs/dbraw/zinc/25/39/70/207253970.db2.gz ZAHGQXYTIOCLBK-NTEUORMPSA-N -1 0 370.336 2.782 50 10 FFCARM Cc1c(C)c2ccc([O-])c(C[NH2+][C@@H](Cc3ccccc3)C(=O)[O-])c2oc1=O ZINC000011866846 207327088 /nfs/dbraw/zinc/32/70/88/207327088.db2.gz LNQHLDWJEICHGF-KRWDZBQOSA-N -1 0 367.401 2.901 50 10 FFCARM Cc1cc(OCC(=O)NCc2cc([N+](=O)[O-])ccc2[O-])ccc1Cl ZINC000034852258 208111228 /nfs/dbraw/zinc/11/12/28/208111228.db2.gz WBVFRIPTKYFXNG-UHFFFAOYSA-N -1 0 350.758 2.957 50 10 FFCARM Cc1cccc(N2C(=O)[N-]C(=O)C(=CNc3ccc(Cl)cn3)C2=O)c1 ZINC000005548085 132257931 /nfs/dbraw/zinc/25/79/31/132257931.db2.gz DTKWOWMTOHHBIO-UKTHLTGXSA-N -1 0 356.769 2.622 50 10 FFCARM COc1cccc(N2C(=O)C(=Cc3ccc([N+](=O)[O-])o3)C(=O)[N-]C2=S)c1 ZINC000001197582 132381045 /nfs/dbraw/zinc/38/10/45/132381045.db2.gz BJJOUOCRTUVMGB-XYOKQWHBSA-N -1 0 373.346 2.868 50 10 FFCARM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC)c(O)c3)C2=O)cc1 ZINC000004704223 506390468 /nfs/dbraw/zinc/39/04/68/506390468.db2.gz JRKPXKNEDFUKHG-GDNBJRDFSA-N -1 0 366.373 2.630 50 10 FFCARM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=CNCCc3ccccc3)C2=O)c1 ZINC000006130557 506469251 /nfs/dbraw/zinc/46/92/51/506469251.db2.gz JFVUUVZGUKGRGJ-AQTBWJFISA-N -1 0 363.417 2.602 50 10 FFCARM CS(=O)(=O)[N-]c1ccccc1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000013612529 506947809 /nfs/dbraw/zinc/94/78/09/506947809.db2.gz FNNJQSWSEGMPIX-UHFFFAOYSA-N -1 0 373.478 2.588 50 10 FFCARM CC(C)[C@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc3nccnc3c2)SC1=S ZINC000013690617 506951623 /nfs/dbraw/zinc/95/16/23/506951623.db2.gz GKUSJNWWGKUETN-MAUPQMMJSA-N -1 0 373.459 2.940 50 10 FFCARM CC1=NN(c2ccccc2)C(=O)/C1=C\c1c[n-]n2c1nc1ccccc1c2=O ZINC000016694259 220191187 /nfs/dbraw/zinc/19/11/87/220191187.db2.gz ZFERULHDIFDHBI-BOPFTXTBSA-N -1 0 369.384 2.982 50 10 FFCARM COc1cc(/C=C2/C(=O)[N-]N(c3cccc(Cl)c3)C2=O)cc(OC)c1O ZINC000013108280 211025353 /nfs/dbraw/zinc/02/53/53/211025353.db2.gz LCDXUZNGCMXPDM-MLPAPPSSSA-N -1 0 374.780 2.524 50 10 FFCARM CS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2cccs2)cc1Cl ZINC000012883772 211002682 /nfs/dbraw/zinc/00/26/82/211002682.db2.gz BLUOYJRJHACOJQ-UHFFFAOYSA-N -1 0 366.873 2.574 50 10 FFCARM Cc1cc(C)c(N2C(=O)[N-]C(=O)C(=CNc3cccc(O)c3)C2=O)c(C)c1 ZINC000100704439 132233017 /nfs/dbraw/zinc/23/30/17/132233017.db2.gz UQEJDFQRKDCAPA-YBEGLDIGSA-N -1 0 365.389 2.896 50 10 FFCARM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(O)c(O)c3)C2=O)cc1 ZINC000008971442 132260486 /nfs/dbraw/zinc/26/04/86/132260486.db2.gz RONVJNBVROUIRW-JYRVWZFOSA-N -1 0 354.318 2.613 50 10 FFCARM CCc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc1 ZINC000000759614 132378424 /nfs/dbraw/zinc/37/84/24/132378424.db2.gz YSEZCPMXOQNXAR-SFQUDFHCSA-N -1 0 350.374 2.924 50 10 FFCARM O=C([O-])CCOc1ccc(/C=C2/SC(N3CCCCC3)=NC2=O)cc1 ZINC000096765407 222128932 /nfs/dbraw/zinc/12/89/32/222128932.db2.gz HGKXBKDCPPGBOZ-NTCAYCPXSA-N -1 0 360.435 2.996 50 10 FFCARM CC(=O)Nc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(N(C)C)cc1 ZINC000097963965 222217924 /nfs/dbraw/zinc/21/79/24/222217924.db2.gz DXXXWMPJYWFKLI-BFQBXFRASA-N -1 0 364.409 2.701 50 10 FFCARM O=C1[N-]C(=S)N(c2ccccc2)C(=O)/C1=C\c1ccc(N2CCCC2)o1 ZINC000004456080 506375583 /nfs/dbraw/zinc/37/55/83/506375583.db2.gz LXUGVQDEFVXRQX-QINSGFPZSA-N -1 0 367.430 2.711 50 10 FFCARM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(N2CCCC2)o1 ZINC000004471910 506376556 /nfs/dbraw/zinc/37/65/56/506376556.db2.gz NCUTXPFCZWXANS-PTNGSMBKSA-N -1 0 369.352 2.685 50 10 FFCARM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1C ZINC000009167367 506684869 /nfs/dbraw/zinc/68/48/69/506684869.db2.gz XZQPGSMFRVHRTM-OQLLNIDSSA-N -1 0 357.797 2.962 50 10 FFCARM O=C1[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)C1=Cc1ccc(O)cc1 ZINC000015837475 507062591 /nfs/dbraw/zinc/06/25/91/507062591.db2.gz RQKHFVHRKDHADD-RIYZIHGNSA-N -1 0 353.290 2.807 50 10 FFCARM NC=C1C(=O)[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1=O ZINC000019832251 507202721 /nfs/dbraw/zinc/20/27/21/507202721.db2.gz FHNLYRGSQSLTIT-BOPFTXTBSA-N -1 0 365.433 2.580 50 10 FFCARM CC1=NN(Cc2ccccc2)C(=O)/C1=C/c1ccccc1OCC(=O)[O-] ZINC000102036873 570826583 /nfs/dbraw/zinc/82/65/83/570826583.db2.gz VPMRDLPWYYMNFY-GZTJUZNOSA-N -1 0 350.374 2.952 50 10 FFCARM COc1ccc(N2C(=O)C(=CNc3ccc(F)cc3)C(=O)[N-]C2=S)cc1 ZINC000103843296 570852617 /nfs/dbraw/zinc/85/26/17/570852617.db2.gz NGXJHJAFDOUMRO-XNTDXEJSSA-N -1 0 371.393 2.578 50 10 FFCARM O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C/c1cc2c(cc1Cl)OCO2 ZINC000001192388 1014452627 /nfs/dbraw/zinc/45/26/27/1014452627.db2.gz VUNKTMWRDBYWFB-WUXMJOGZSA-N -1 0 370.748 2.735 50 10 FFCARM COC(=O)c1c2c(sc1NC(=O)[C@H]1CCCC[C@@H]1C(=O)[O-])CCC2 ZINC000002744790 219461458 /nfs/dbraw/zinc/46/14/58/219461458.db2.gz MUTNGMJUXMTKSV-UWVGGRQHSA-N -1 0 351.424 2.853 50 10 FFCARM COc1cc(/C=C2\C(=O)N(c3cccc(C(=O)[O-])c3)N=C2C)ccc1O ZINC000005073462 219648550 /nfs/dbraw/zinc/64/85/50/219648550.db2.gz NCPVLQFUTPGPOM-NVNXTCNLSA-N -1 0 352.346 2.905 50 10 FFCARM Cc1ccc([N-]S(=O)(=O)c2cccc3nsnc32)cc1[N+](=O)[O-] ZINC000002329318 210391414 /nfs/dbraw/zinc/39/14/14/210391414.db2.gz XTBJXRTUQBUIHB-UHFFFAOYSA-N -1 0 350.381 2.709 50 10 FFCARM O=C1c2ccccc2C(=O)c2cc(S(=O)(=O)[N-]c3ccncc3)ccc21 ZINC000010274255 210354187 /nfs/dbraw/zinc/35/41/87/210354187.db2.gz WICBWCBTRKSFIX-UHFFFAOYSA-N -1 0 364.382 2.658 50 10 FFCARM Cc1[n-]n(C(N)=S)c(=O)c1N=Nc1ccc(C(=O)c2ccccc2)cc1 ZINC000100524814 222246531 /nfs/dbraw/zinc/24/65/31/222246531.db2.gz VPJVPVOWYNOUDQ-IWKHNONTSA-N -1 0 365.418 2.832 50 10 FFCARM Cc1cc(=O)oc2c1ccc([O-])c2C[NH2+][C@@H](Cc1ccccc1)C(=O)[O-] ZINC000001518796 506264862 /nfs/dbraw/zinc/26/48/62/506264862.db2.gz MRUNGDSDRLASQM-INIZCTEOSA-N -1 0 353.374 2.593 50 10 biogenic FFCARM CN(CC(=O)NCc1cc([N+](=O)[O-])ccc1[O-])Cc1cccc(Cl)c1 ZINC000008748359 506666104 /nfs/dbraw/zinc/66/61/04/506666104.db2.gz OBKWAJMNKGWXCN-UHFFFAOYSA-N -1 0 363.801 2.702 50 10 FFCARM CC(C)[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S ZINC000001213269 219390266 /nfs/dbraw/zinc/39/02/66/219390266.db2.gz LPYQKLLCNZMFBW-MVXISAMASA-N -1 0 365.432 2.726 50 10 FFCARM O=C1[N-]C(=O)C(=Cc2cc(Cl)ccc2OCc2ccccc2)C(=O)N1 ZINC000015015485 211114954 /nfs/dbraw/zinc/11/49/54/211114954.db2.gz XGDLAKLBMZDPPF-UHFFFAOYSA-N -1 0 356.765 2.668 50 10 FFCARM CCOc1cc([N+](=O)[O-])cc(/C=C2\SC(=S)N(CC)C2=O)c1[O-] ZINC000015010954 211113292 /nfs/dbraw/zinc/11/32/92/211113292.db2.gz YRWWXJWSSQGFBY-WDZFZDKYSA-N -1 0 354.409 2.920 50 10 FFCARM CCCOc1ccc(/C=C2\SC(=S)N(CC(=O)[O-])C2=O)cc1OC ZINC000013343739 211030682 /nfs/dbraw/zinc/03/06/82/211030682.db2.gz SZSBPBRZCSVZIK-JYRVWZFOSA-N -1 0 367.448 2.770 50 10 FFCARM NC=C1C(=O)[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1=O ZINC000084921224 132199571 /nfs/dbraw/zinc/19/95/71/132199571.db2.gz FHNLYRGSQSLTIT-GZTJUZNOSA-N -1 0 365.433 2.580 50 10 FFCARM Cc1ccccc1NC=C1C(=O)[N-]C(=S)N(c2ccccc2F)C1=O ZINC000002892798 132254009 /nfs/dbraw/zinc/25/40/09/132254009.db2.gz FPFZZSRDRISQBR-BENRWUELSA-N -1 0 355.394 2.878 50 10 FFCARM Cn1c(-c2ccc(O)c(O)c2O)cs/c1=N\c1cccc(C(=O)[O-])c1 ZINC000101727466 222281603 /nfs/dbraw/zinc/28/16/03/222281603.db2.gz POTCAVCSMZMBGA-ZCXUNETKSA-N -1 0 358.375 2.801 50 10 FFCARM CCOC(=O)c1ccc(N2[N-]C(=O)/C(=C/C=C/c3ccccc3)C2=O)cc1 ZINC000033295383 506355711 /nfs/dbraw/zinc/35/57/11/506355711.db2.gz OMJGKDXPHGDPBT-CVCOPPNTSA-N -1 0 362.385 2.881 50 10 FFCARM O=C([O-])CCCN1C(=O)/C(=C\c2ccc3c(c2)OCCO3)SC1=S ZINC000005070266 506419292 /nfs/dbraw/zinc/41/92/92/506419292.db2.gz VPQMKGZIPJDHGW-UKTHLTGXSA-N -1 0 365.432 2.524 50 10 FFCARM COc1ccc(/C=C2\C(=O)[N-]N(c3ccc(Cl)cc3)C2=O)cc1OC ZINC000000694628 210262954 /nfs/dbraw/zinc/26/29/54/210262954.db2.gz RFHXXMMMHZMXAM-NTEUORMPSA-N -1 0 358.781 2.819 50 10 FFCARM O=C([O-])CN1C(=O)/C(=C/C2=Cc3cc(Cl)ccc3OC2)SC1=S ZINC000096931596 210241105 /nfs/dbraw/zinc/24/11/05/210241105.db2.gz JXIIETWQAVJJOO-QCDXTXTGSA-N -1 0 367.835 2.945 50 10 FFCARM CC1=NN(c2ccc(C)c(C)c2)C(=O)C1=Cc1c([O-])[nH]c(=S)[nH]c1=O ZINC000017751849 220217695 /nfs/dbraw/zinc/21/76/95/220217695.db2.gz RJGXDSWKKIGVCJ-KPKJPENVSA-N -1 0 356.407 2.561 50 10 FFCARM CC(C)(C)N1C(=O)[N-]C(=O)/C(=C\c2ccc(Br)s2)C1=O ZINC000016322839 211158537 /nfs/dbraw/zinc/15/85/37/211158537.db2.gz CPCYOQACLZHUNG-SOFGYWHQSA-N -1 0 357.229 2.771 50 10 FFCARM COc1ccc2[nH]cc(/C=C3\SC(=S)N(CCC(=O)[O-])C3=O)c2c1 ZINC000006660837 210686804 /nfs/dbraw/zinc/68/68/04/210686804.db2.gz RCWWZXUECNSWNR-MLPAPPSSSA-N -1 0 362.432 2.852 50 10 FFCARM O=C([O-])CCCN1C(=O)/C(=C/c2ccccc2[N+](=O)[O-])SC1=S ZINC000001916934 210374498 /nfs/dbraw/zinc/37/44/98/210374498.db2.gz KGSCKRDJVKGYIN-FLIBITNWSA-N -1 0 352.393 2.661 50 10 FFCARM O=C([O-])CN1C(=O)/C(=C\c2cccc(Br)c2)SC1=S ZINC000000966838 210294960 /nfs/dbraw/zinc/29/49/60/210294960.db2.gz GRUJFJUZJHYCKW-WEVVVXLNSA-N -1 0 358.238 2.735 50 10 FFCARM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)ccc3C)C2=O)ccc1O ZINC000001175068 132380720 /nfs/dbraw/zinc/38/07/20/132380720.db2.gz NWBXAGWOSDDJHD-NTEUORMPSA-N -1 0 366.373 2.684 50 10 FFCARM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)ccc1O ZINC000001178381 132380735 /nfs/dbraw/zinc/38/07/35/132380735.db2.gz IMMACMVFKXSEDE-NTUHNPAUSA-N -1 0 372.764 2.721 50 10 FFCARM CCOC(=O)c1cccc([N-]S(=O)(=O)c2cccc3nsnc32)c1 ZINC000003620103 506347980 /nfs/dbraw/zinc/34/79/80/506347980.db2.gz CUHRPOSVKQWQCL-UHFFFAOYSA-N -1 0 363.420 2.669 50 10 FFCARM CC(=O)c1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc1 ZINC000004852149 506398686 /nfs/dbraw/zinc/39/86/86/506398686.db2.gz IOLHCKXLDMGPJK-BOPFTXTBSA-N -1 0 363.373 2.776 50 10 FFCARM COc1cccc(C2=NN(C(=O)CCC(=O)[O-])[C@H](c3ccccc3O)C2)c1 ZINC000006730369 506500612 /nfs/dbraw/zinc/50/06/12/506500612.db2.gz GUAFCOSYJSCRHT-KRWDZBQOSA-N -1 0 368.389 2.943 50 10 FFCARM CN(C)c1ccc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc1 ZINC000016309443 507080958 /nfs/dbraw/zinc/08/09/58/507080958.db2.gz NYAKRJDHOZEHCN-VBKFSLOCSA-N -1 0 351.431 2.584 50 10 FFCARM O=C1[N-]C(=O)N(c2ccccc2)C(=O)C1=CNC12CC3CC(CC(C3)C1)C2 ZINC000019535437 507177561 /nfs/dbraw/zinc/17/75/61/507177561.db2.gz DDFFJWCWYZHPDG-SFQUDFHCSA-N -1 0 365.433 2.712 50 10 FFCARM O=C([O-])c1cc(N2C(=O)/C(=C\c3ccccn3)SC2=S)ccc1O ZINC000027530451 507661812 /nfs/dbraw/zinc/66/18/12/507661812.db2.gz MXWWMMMGLSPDLH-NTUHNPAUSA-N -1 0 358.400 2.891 50 10 FFCARM O=C1[N-]C(=S)N(c2ccccc2)C(=O)/C1=C/c1cc(Cl)ccc1O ZINC000005059069 727779585 /nfs/dbraw/zinc/77/95/85/727779585.db2.gz VFGNFRDHTBUVBW-UKTHLTGXSA-N -1 0 358.806 2.877 50 10 FFCARM CC(=O)Nc1cc([N-]S(=O)(=O)c2cccc3nsnc32)ccc1F ZINC000019079339 211202041 /nfs/dbraw/zinc/20/20/41/211202041.db2.gz CXOUZUFKSIPKDZ-UHFFFAOYSA-N -1 0 366.399 2.590 50 10 FFCARM Cc1cccc(N2C(=O)[N-]C(=O)C(=CNc3ccc(Cl)cn3)C2=O)c1 ZINC000097402233 132228784 /nfs/dbraw/zinc/22/87/84/132228784.db2.gz DTKWOWMTOHHBIO-LCYFTJDESA-N -1 0 356.769 2.622 50 10 FFCARM CN(C)c1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)cc1 ZINC000002281158 132383120 /nfs/dbraw/zinc/38/31/20/132383120.db2.gz SDZGFBYJQDRCTJ-SDNWHVSQSA-N -1 0 353.353 2.558 50 10 FFCARM CC(=O)c1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc1 ZINC000002448455 132383548 /nfs/dbraw/zinc/38/35/48/132383548.db2.gz TWGWKUBZOPVJIY-MHWRWJLKSA-N -1 0 367.336 2.607 50 10 FFCARM Cc1cc(C(=O)N2CCc3[nH]cnc3[C@H]2C(=O)[O-])c(C)n1-c1ccccc1 ZINC000096151718 222054120 /nfs/dbraw/zinc/05/41/20/222054120.db2.gz WUIMCZBQGBVZTC-SFHVURJKSA-N -1 0 364.405 2.641 50 10 FFCARM Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(S(C)(=O)=O)cc1 ZINC000097963936 222217286 /nfs/dbraw/zinc/21/72/86/222217286.db2.gz CYHVMRXVVMYOOD-RUNIHZNKSA-N -1 0 356.407 2.965 50 10 FFCARM CSCC[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(O)cc2)SC1=S ZINC000004792808 506396008 /nfs/dbraw/zinc/39/60/08/506396008.db2.gz NQFYFJCESYRWQS-SERMCNLOSA-N -1 0 369.489 2.800 50 10 FFCARM COc1cc([N+](=O)[O-])cc(CN2CCN(c3ccccc3F)CC2)c1[O-] ZINC000004980270 506410998 /nfs/dbraw/zinc/41/09/98/506410998.db2.gz PIWHDBGNBUQWQC-UHFFFAOYSA-N -1 0 361.373 2.770 50 10 FFCARM COc1cccc2ccc(/C=C3\SC(=S)N(CC(=O)[O-])C3=O)nc21 ZINC000006660926 506495908 /nfs/dbraw/zinc/49/59/08/506495908.db2.gz NOPNKMSXCYAYDX-GHXNOFRVSA-N -1 0 360.416 2.529 50 10 FFCARM COc1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@H](c3ccccc3O)C2)cc1 ZINC000006729505 506500502 /nfs/dbraw/zinc/50/05/02/506500502.db2.gz YFDRWMZASDIWNE-KRWDZBQOSA-N -1 0 368.389 2.943 50 10 FFCARM CCS(CC)=C1C(=O)[N-]C(=O)N(c2cccc(C(F)(F)F)c2)C1=O ZINC000013774014 506955556 /nfs/dbraw/zinc/95/55/56/506955556.db2.gz QIFOGFJYGQCRFE-UHFFFAOYSA-N -1 0 360.357 2.769 50 10 FFCARM COc1cccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c1OC ZINC000015012442 507011847 /nfs/dbraw/zinc/01/18/47/507011847.db2.gz FDYOZZGPRUWQHX-PTNGSMBKSA-N -1 0 366.373 2.679 50 10 FFCARM CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OC)cc2)C1=O ZINC000005092006 975810279 /nfs/dbraw/zinc/81/02/79/975810279.db2.gz WVPYNQYATMXCTI-QINSGFPZSA-N -1 0 366.373 2.760 50 10 FFCARM COc1cc(/C=C2/SC(=S)N([C@H](C(=O)[O-])C(C)C)C2=O)ccc1O ZINC000033373185 211603554 /nfs/dbraw/zinc/60/35/54/211603554.db2.gz HDMVRUHSNFQVDW-WHGQRRHOSA-N -1 0 367.448 2.711 50 10 FFCARM CC(=O)Oc1cccc(/C=C2/C(=O)[N-]N(c3ccc(C)c(C)c3)C2=O)c1 ZINC000016182914 211156984 /nfs/dbraw/zinc/15/69/84/211156984.db2.gz XRSVCGKAGGBETK-WQRHYEAKSA-N -1 0 350.374 2.690 50 10 FFCARM COc1ccc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1Br ZINC000016671074 211166175 /nfs/dbraw/zinc/16/61/75/211166175.db2.gz SKMXVKXBRMYDJU-LCYFTJDESA-N -1 0 373.206 2.919 50 10 FFCARM O=C1[N-]C(=O)N(CCC2=CCCCC2)C(=O)C1=CNCc1ccc(F)cc1 ZINC000002396075 210396088 /nfs/dbraw/zinc/39/60/88/210396088.db2.gz XZFIBOKAXBDXIF-GHRIWEEISA-N -1 0 371.412 2.768 50 10 FFCARM CCOc1ccc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)c(OCC)c1 ZINC000001188285 210331423 /nfs/dbraw/zinc/33/14/23/210331423.db2.gz MXMOIIYQTPEBPG-NTUHNPAUSA-N -1 0 367.448 2.770 50 10 FFCARM CN1C(=O)[N-]C(=O)/C(=C\c2cn(Cc3ccccc3)c3ccccc23)C1=O ZINC000001104063 210315863 /nfs/dbraw/zinc/31/58/63/210315863.db2.gz DIVBRVULNGTEDM-GZTJUZNOSA-N -1 0 359.385 2.781 50 10 FFCARM COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc1OC ZINC000009331150 132378489 /nfs/dbraw/zinc/37/84/89/132378489.db2.gz HZKKVFCRJOHYHF-ZROIWOOFSA-N -1 0 370.336 2.509 50 10 FFCARM COc1ccc(OC)c(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c1 ZINC000001192774 132380991 /nfs/dbraw/zinc/38/09/91/132380991.db2.gz CGOHQCSQPUFAJX-LFIBNONCSA-N -1 0 366.373 2.679 50 10 FFCARM CN(C)c1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)o1 ZINC000001214969 132381160 /nfs/dbraw/zinc/38/11/60/132381160.db2.gz UDFSBHUETNVHNA-UKTHLTGXSA-N -1 0 359.769 2.665 50 10 FFCARM COc1ccccc1N1C(=O)[N-]C(=O)C(=CNc2cccc(C)c2)C1=O ZINC000002842364 132384155 /nfs/dbraw/zinc/38/41/55/132384155.db2.gz OEPRSWKGTWCGAR-KAMYIIQDSA-N -1 0 351.362 2.582 50 10 FFCARM O=c1[nH]c2ccc(NS(=O)(=O)c3cc(Cl)cc(Cl)c3[O-])cc2[nH]1 ZINC000004732904 506391087 /nfs/dbraw/zinc/39/10/87/506391087.db2.gz ZRAIVKQTXCKHME-UHFFFAOYSA-N -1 0 374.205 2.669 50 10 FFCARM O=C1[N-]C(=S)N(c2ccc(F)cc2)C(=O)C1=CNN1CCCCCC1 ZINC000005100154 506422641 /nfs/dbraw/zinc/42/26/41/506422641.db2.gz KKBVWQSGXXHTCB-SDNWHVSQSA-N -1 0 362.430 2.678 50 10 FFCARM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cccc([N+](=O)[O-])c3)C2=O)c1 ZINC000005186502 506426925 /nfs/dbraw/zinc/42/69/25/506426925.db2.gz WJKCTYOEDICFKV-MHWRWJLKSA-N -1 0 365.345 2.878 50 10 FFCARM O=C([O-])c1ccc(S(=O)(=O)Nc2ccc(O)c(Br)c2)cc1 ZINC000005234923 506430924 /nfs/dbraw/zinc/43/09/24/506430924.db2.gz PUAUTYRONFMTIS-UHFFFAOYSA-N -1 0 372.196 2.654 50 10 FFCARM NC(=O)c1c([N-]S(=O)(=O)c2ccc(F)cc2)sc2c1CCCC2 ZINC000006858658 506512535 /nfs/dbraw/zinc/51/25/35/506512535.db2.gz UHWUSNOJEOPTEH-UHFFFAOYSA-N -1 0 354.428 2.666 50 10 FFCARM COc1ccc(/C=C2/C(=O)[N-]N(c3ccc(Cl)cc3)C2=O)cc1[N+](=O)[O-] ZINC000096564123 508214883 /nfs/dbraw/zinc/21/48/83/508214883.db2.gz IIWOOCBXTNFPDQ-JYRVWZFOSA-N -1 0 373.752 2.718 50 10 FFCARM O=c1[n-]n2c([nH]c3c(c2=O)CCCC3)c1N=Nc1ccc2c(c1)OCO2 ZINC000334159069 511466518 /nfs/dbraw/zinc/46/65/18/511466518.db2.gz YRDKRAPDUSHHNY-UHFFFAOYSA-N -1 0 353.338 2.751 50 10 FFCARM CCOc1ccc(NC=C2C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)cc1 ZINC000101350858 570819310 /nfs/dbraw/zinc/81/93/10/570819310.db2.gz QQJQLBUXMAGVFT-SFQUDFHCSA-N -1 0 365.389 2.973 50 10 FFCARM Cc1[n-]n(-c2ccccc2)c(=O)c1C=C1C(=O)NN(c2ccc(C)cc2)C1=O ZINC000022023115 960939266 /nfs/dbraw/zinc/93/92/66/960939266.db2.gz SPLWNIMEJCXKMI-PDGQHHTCSA-N -1 0 374.400 2.656 50 10 FFCARM COc1ccc(CN2C(=O)[N-]C(=O)/C(=C\C=C\c3ccco3)C2=O)cc1 ZINC000022107441 961452044 /nfs/dbraw/zinc/45/20/44/961452044.db2.gz KSVSMQFBIJEXQO-NKJMRRHMSA-N -1 0 352.346 2.506 50 10 FFCARM COc1cc(C(=O)NCc2cc([N+](=O)[O-])ccc2[O-])cc(Cl)c1OC ZINC000036386858 211666283 /nfs/dbraw/zinc/66/62/83/211666283.db2.gz LDRCIKHDPVENSX-UHFFFAOYSA-N -1 0 366.757 2.901 50 10 FFCARM Cc1ccc2oc(C(=O)NCc3cc([N+](=O)[O-])ccc3[O-])cc(=O)c2c1 ZINC000017906078 211188044 /nfs/dbraw/zinc/18/80/44/211188044.db2.gz BWIDORAFOGWBID-UHFFFAOYSA-N -1 0 354.318 2.645 50 10 FFCARM COC(=O)Cc1[n-]n(-c2ccccc2)c(=O)c1C(C)=Nc1cccnc1 ZINC000100423392 222243801 /nfs/dbraw/zinc/24/38/01/222243801.db2.gz LRBYYQDPTPCPMU-AQTBWJFISA-N -1 0 350.378 2.733 50 10 FFCARM O=C([O-])CCN1C(=O)/C(=C\c2ccc(OC(F)F)cc2)SC1=S ZINC000001266342 506257224 /nfs/dbraw/zinc/25/72/24/506257224.db2.gz FSBCUEQQHZZVKM-JXMROGBWSA-N -1 0 359.375 2.964 50 10 FFCARM Cc1cccc(-n2cccc2/C=C2\C(=O)[N-]C(=O)N(c3cccnc3)C2=O)c1 ZINC000004677018 506386376 /nfs/dbraw/zinc/38/63/76/506386376.db2.gz OXNFKSIUWYIWHU-LDADJPATSA-N -1 0 372.384 2.847 50 10 FFCARM Cc1cccc(N2C(=O)/C(=C/c3ccc(O)cc3)C(=O)[N-]C2=S)c1C ZINC000004689938 506387695 /nfs/dbraw/zinc/38/76/95/506387695.db2.gz WVWBYUUDBVRNBE-XNTDXEJSSA-N -1 0 352.415 2.840 50 10 FFCARM CCOc1ccc(-c2ccc(C=C3C(=O)[N-]C(=O)NC3=O)o2)c([N+](=O)[O-])c1 ZINC000005025753 506416271 /nfs/dbraw/zinc/41/62/71/506416271.db2.gz SMEGEEOMNFRGMK-UHFFFAOYSA-N -1 0 371.305 2.843 50 10 FFCARM COc1ccccc1NC=C1C(=O)[N-]C(=O)N(c2cccc(C)c2)C1=O ZINC000006090320 506466552 /nfs/dbraw/zinc/46/65/52/506466552.db2.gz HFDNBYWASCXSPQ-KAMYIIQDSA-N -1 0 351.362 2.582 50 10 FFCARM CSc1ncc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cn1 ZINC000015856173 727822055 /nfs/dbraw/zinc/82/20/55/727822055.db2.gz OJMUOMGNHKZZMQ-XGICHPGQSA-N -1 0 374.809 2.518 50 10 FFCARM COC(=O)c1sc2cc(=O)n(-c3cccc(C(F)(F)F)c3)nc2c1[O-] ZINC000013121725 211024889 /nfs/dbraw/zinc/02/48/89/211024889.db2.gz SGPWOXLICCUHMN-UHFFFAOYSA-N -1 0 370.308 2.958 50 10 FFCARM CCN(CC)c1ccc(C=C2C(=O)N(c3nnc(C)c(=O)[n-]3)N=C2C)cc1 ZINC000005091574 210598836 /nfs/dbraw/zinc/59/88/36/210598836.db2.gz DPBQSCCTZVVUPC-LFIBNONCSA-N -1 0 366.425 2.538 50 10 FFCARM Cc1cc(=O)oc2c1ccc([O-])c2C[NH2+][C@H](Cc1ccccc1)C(=O)[O-] ZINC000001518799 210357494 /nfs/dbraw/zinc/35/74/94/210357494.db2.gz MRUNGDSDRLASQM-MRXNPFEDSA-N -1 0 353.374 2.593 50 10 biogenic FFCARM Cc1cccc(N2C(=O)C(=CNc3ccccc3F)C(=O)[N-]C2=S)c1 ZINC000100401274 132232636 /nfs/dbraw/zinc/23/26/36/132232636.db2.gz OCAFIQKSBPTGKK-RAXLEYEMSA-N -1 0 355.394 2.878 50 10 FFCARM COc1cccc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c1OCC(=O)[O-] ZINC000033334330 506357199 /nfs/dbraw/zinc/35/71/99/506357199.db2.gz YBPZLJSVURLTRZ-LFIBNONCSA-N -1 0 366.373 2.965 50 10 FFCARM Cc1ccc(N2C(=O)C(=CNN3CCCCCC3)C(=O)[N-]C2=S)cc1 ZINC000006922877 506517698 /nfs/dbraw/zinc/51/76/98/506517698.db2.gz CLGATWZABYXBTN-NTCAYCPXSA-N -1 0 358.467 2.848 50 10 FFCARM CC1=NN(c2ccc(C(=O)[O-])cc2)C(=O)/C1=C\c1ccc2c(c1)OCO2 ZINC000012412898 506862235 /nfs/dbraw/zinc/86/22/35/506862235.db2.gz KNRJKTKEDIDEGN-NVNXTCNLSA-N -1 0 350.330 2.920 50 10 FFCARM COc1cccc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)c1OC ZINC000001192550 537078260 /nfs/dbraw/zinc/07/82/60/537078260.db2.gz SDZCSSXLKZFNCM-SDNWHVSQSA-N -1 0 366.373 2.679 50 10 FFCARM COc1cccc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)c1OC ZINC000015659308 968084165 /nfs/dbraw/zinc/08/41/65/968084165.db2.gz MPXSCJKVGHBMPY-KAMYIIQDSA-N -1 0 368.414 2.535 50 10 FFCARM O=C([O-])CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S ZINC000001225534 219391966 /nfs/dbraw/zinc/39/19/66/219391966.db2.gz VQEGBPLWBGWJNY-WEVVVXLNSA-N -1 0 358.238 2.735 50 10 FFCARM O=C([O-])CCN1C(=O)/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)SC1=S ZINC000001771533 219417784 /nfs/dbraw/zinc/41/77/84/219417784.db2.gz ISFMWGVYKQJBLY-POHAHGRESA-N -1 0 372.811 2.924 50 10 FFCARM Cc1cc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)c(C)n1-c1ccccn1 ZINC000004711871 219599607 /nfs/dbraw/zinc/59/96/07/219599607.db2.gz VMWQAUOQWNCGDE-MDWZMJQESA-N -1 0 373.459 2.775 50 10 FFCARM COc1ccc(N2CCN(c3ccc(C(=O)[O-])cc3[N+](=O)[O-])CC2)cc1 ZINC000003913779 132386087 /nfs/dbraw/zinc/38/60/87/132386087.db2.gz RVOPDFKSBXCWCB-UHFFFAOYSA-N -1 0 357.366 2.628 50 10 biogenic FFCARM COc1ccc(NNC=C2C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)cc1 ZINC000038179562 136118518 /nfs/dbraw/zinc/11/85/18/136118518.db2.gz HFYFGGGSFVGHHP-LFIBNONCSA-N -1 0 366.377 2.927 50 10 FFCARM Cc1cc(C=C2C(=O)[N-]C(=O)NC2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000008742383 506665529 /nfs/dbraw/zinc/66/55/29/506665529.db2.gz LJMUMSFXMCWURL-UHFFFAOYSA-N -1 0 354.322 2.592 50 10 FFCARM COc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3sccc3C)C2=O)cc1 ZINC000001197291 727774407 /nfs/dbraw/zinc/77/44/07/727774407.db2.gz RHJZMMRGJSCJNC-NTEUORMPSA-N -1 0 356.403 2.727 50 10 FFCARM CCOc1ccc(N2C(=O)/C(=C/c3cccs3)C(=O)[N-]C2=S)cc1 ZINC000002873504 727774681 /nfs/dbraw/zinc/77/46/81/727774681.db2.gz GINUOIYBXJCKOP-GXDHUFHOSA-N -1 0 358.444 2.978 50 10 FFCARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(/N=N/N3CCCC3)cc2)n1 ZINC000000850352 219331116 /nfs/dbraw/zinc/33/11/16/219331116.db2.gz LJPMGJGDICTOKF-XUTLUUPISA-N -1 0 360.443 2.989 50 10 FFCARM CCC[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S ZINC000000966729 219347624 /nfs/dbraw/zinc/34/76/24/219347624.db2.gz MGQXIIBLTNLNMI-BNDQCTAISA-N -1 0 365.432 2.870 50 10 FFCARM O=C([O-])CN1C(=O)/C(=C\c2ccccc2Br)SC1=S ZINC000000974181 219348720 /nfs/dbraw/zinc/34/87/20/219348720.db2.gz AOUHPDJAMKBCFJ-WEVVVXLNSA-N -1 0 358.238 2.735 50 10 FFCARM CC(=C\c1ccccc1)/C=C1\SC(=S)N(CCS(=O)(=O)[O-])C1=O ZINC000004291565 219561780 /nfs/dbraw/zinc/56/17/80/219561780.db2.gz QLUGXACALWHQNS-QXGKOBNPSA-N -1 0 369.489 2.722 50 10 FFCARM COc1ccccc1-c1nnc2n1N=C(c1ccc(O)c(O)c1)CS2 ZINC000013127502 220058683 /nfs/dbraw/zinc/05/86/83/220058683.db2.gz PKVPLCVGALGTGK-UHFFFAOYSA-N -1 0 354.391 2.723 50 10 FFCARM Cn1cccc1/C=C1\C(=O)[N-]C(=O)N(c2cccc(C(F)(F)F)c2)C1=O ZINC000002288587 132253820 /nfs/dbraw/zinc/25/38/20/132253820.db2.gz KDINOYRGBGVXNZ-UKTHLTGXSA-N -1 0 363.295 2.710 50 10 FFCARM COC(=O)c1c2c(sc1NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-])CCC2 ZINC000002744788 506290325 /nfs/dbraw/zinc/29/03/25/506290325.db2.gz MUTNGMJUXMTKSV-VHSXEESVSA-N -1 0 351.424 2.853 50 10 FFCARM CC(C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(O)c(O)c3)C2=O)cc1 ZINC000005067352 506419143 /nfs/dbraw/zinc/41/91/43/506419143.db2.gz JBPOPKNABCCBIB-DHDCSXOGSA-N -1 0 366.373 2.888 50 10 FFCARM Cc1cccc(N2C(=O)[N-]C(=O)C(=CNCc3cccs3)C2=O)c1C ZINC000005648259 506453130 /nfs/dbraw/zinc/45/31/30/506453130.db2.gz TWFBSIZFBGEFSA-UVTDQMKNSA-N -1 0 355.419 2.621 50 10 FFCARM O=C([O-])CCCN1C(=O)/C(=C/c2cccc3nccnc23)SC1=S ZINC000006660712 506495315 /nfs/dbraw/zinc/49/53/15/506495315.db2.gz IYZVSDVIOSVEDS-XFXZXTDPSA-N -1 0 359.432 2.696 50 10 FFCARM COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1O ZINC000015013085 507011398 /nfs/dbraw/zinc/01/13/98/507011398.db2.gz JTBPWSVDTZTTGL-JYRVWZFOSA-N -1 0 372.764 2.721 50 10 FFCARM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)ccc1O ZINC000002854858 535659666 /nfs/dbraw/zinc/65/96/66/535659666.db2.gz WQIMGUOJOXJDLG-XNTDXEJSSA-N -1 0 366.373 2.766 50 10 FFCARM C[C@H](Oc1cccc(/C=C2\SC(N3CCCCC3)=NC2=O)c1)C(=O)[O-] ZINC000058464685 221120982 /nfs/dbraw/zinc/12/09/82/221120982.db2.gz HXSVHMKBHADUMG-CMHHUMAZSA-N -1 0 360.435 2.995 50 10 FFCARM CC1=NN(c2ccc(C)c(C)c2)C(=O)C1=Cc1c([O-])[nH]c(=S)[nH]c1=O ZINC000100930854 222257712 /nfs/dbraw/zinc/25/77/12/222257712.db2.gz RJGXDSWKKIGVCJ-GHXNOFRVSA-N -1 0 356.407 2.561 50 10 FFCARM CC(C)[C@H](C(=O)[O-])N1C(=O)/C(=C/c2nc3ccccc3[nH]2)SC1=S ZINC000002214346 506274472 /nfs/dbraw/zinc/27/44/72/506274472.db2.gz ZTHLFCPMXVGMDT-LWMSPQMPSA-N -1 0 361.448 2.873 50 10 FFCARM COC(=O)c1c2c(sc1NC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-])CCC2 ZINC000002744791 506289899 /nfs/dbraw/zinc/28/98/99/506289899.db2.gz MUTNGMJUXMTKSV-ZJUUUORDSA-N -1 0 351.424 2.853 50 10 FFCARM CC(C)[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccccc2[N+](=O)[O-])SC1=S ZINC000004077102 506356381 /nfs/dbraw/zinc/35/63/81/506356381.db2.gz YMNOJXWETGGYMP-RDQDRAATSA-N -1 0 366.420 2.905 50 10 FFCARM Cc1ccc(N2[N-]C(=O)/C(=C/c3cc(Br)ccc3O)C2=O)cc1 ZINC000033600734 506358734 /nfs/dbraw/zinc/35/87/34/506358734.db2.gz JWGHDYRIQKCNAB-ZROIWOOFSA-N -1 0 373.206 2.925 50 10 FFCARM CC(=O)c1ccc(NC=C2C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)cc1 ZINC000004797340 506395311 /nfs/dbraw/zinc/39/53/11/506395311.db2.gz FCRRJPDIPGQGBK-BOPFTXTBSA-N -1 0 363.373 2.776 50 10 FFCARM COc1cc(/C=C2\SC(N3CCCCC3)=NC2=O)cc([N+](=O)[O-])c1[O-] ZINC000036309027 506399815 /nfs/dbraw/zinc/39/98/15/506399815.db2.gz IDWJUMYILONVHH-LCYFTJDESA-N -1 0 363.395 2.765 50 10 FFCARM CCOc1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1 ZINC000005610452 506449097 /nfs/dbraw/zinc/44/90/97/506449097.db2.gz YCXZSSHRDJVAQZ-FOWTUZBSSA-N -1 0 351.362 2.664 50 10 FFCARM CC[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2cccc(OC)c2OC)SC1=S ZINC000006080709 506466202 /nfs/dbraw/zinc/46/62/02/506466202.db2.gz OMNHPQAHMDGVLG-MJWAUXSNSA-N -1 0 367.448 2.768 50 10 FFCARM CC[C@H](C(=O)[O-])N1C(=O)/C(=C\c2cc(OC)ccc2OC)SC1=S ZINC000006080782 506466216 /nfs/dbraw/zinc/46/62/16/506466216.db2.gz FLFCFEDTFZSJEA-KAQJVSAMSA-N -1 0 367.448 2.768 50 10 FFCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=CNc3cc(Cl)ccc3O)C2=O)cc1 ZINC000006088238 506466350 /nfs/dbraw/zinc/46/63/50/506466350.db2.gz HQUWIZPWGHUCIK-LCYFTJDESA-N -1 0 371.780 2.933 50 10 FFCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=CNCCc3ccccc3)C2=O)cc1C ZINC000006131731 506470068 /nfs/dbraw/zinc/47/00/68/506470068.db2.gz HIEUQYZNRLSNJE-AQTBWJFISA-N -1 0 363.417 2.602 50 10 FFCARM COc1ccc(N2C(=O)C(=CNc3ccc(F)cc3)C(=O)[N-]C2=S)cc1 ZINC000013590620 506945037 /nfs/dbraw/zinc/94/50/37/506945037.db2.gz NGXJHJAFDOUMRO-GDNBJRDFSA-N -1 0 371.393 2.578 50 10 FFCARM COc1ccc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)cc1C ZINC000015012816 507011685 /nfs/dbraw/zinc/01/16/85/507011685.db2.gz KTPKOVFUJNUECW-GDNBJRDFSA-N -1 0 370.405 2.974 50 10 FFCARM COc1ccc(N2C(=O)/C(=C/c3ccsc3)C(=O)[N-]C2=S)c(OC)c1 ZINC000000663634 524382694 /nfs/dbraw/zinc/38/26/94/524382694.db2.gz OODPMKXHUVCJLB-KPKJPENVSA-N -1 0 374.443 2.597 50 10 FFCARM CCn1c(C)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)c1C ZINC000001124806 535963440 /nfs/dbraw/zinc/96/34/40/535963440.db2.gz OUYLKFKODZVRAW-GXDHUFHOSA-N -1 0 355.369 2.930 50 10 FFCARM CC[C@H](C)Cn1c(C)c2c(cc1=O)[n-]n(-c1nc3ccccc3s1)c2=O ZINC000669516779 571179364 /nfs/dbraw/zinc/17/93/64/571179364.db2.gz YZVZFGKBBHGZOI-NSHDSACASA-O -1 0 369.470 2.510 50 10 FFCARM COc1cccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3)C2=O)c1O ZINC000001194883 1014454457 /nfs/dbraw/zinc/45/44/57/1014454457.db2.gz BCAHUPKVLOSJIW-GXDHUFHOSA-N -1 0 368.414 2.541 50 10 FFCARM Cc1cc([N+](=O)[O-])cc([C@H]2[NH2+][C@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)c1[O-] ZINC000012659851 220017114 /nfs/dbraw/zinc/01/71/14/220017114.db2.gz CTIPGICZGLESJX-DOTOQJQBSA-N -1 0 367.361 2.778 50 10 biogenic FFCARM Cc1ccc(/C=C2/C(=O)[N-]C(=O)N(CCc3ccc(F)cc3)C2=O)s1 ZINC000013482899 220069820 /nfs/dbraw/zinc/06/98/20/220069820.db2.gz OQQCEJZJBGRXMD-GDNBJRDFSA-N -1 0 358.394 2.900 50 10 aggregator FFCARM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)c(C)n1C ZINC000001219189 132381200 /nfs/dbraw/zinc/38/12/00/132381200.db2.gz ZMNFFLWRBSJYBZ-UKTHLTGXSA-N -1 0 357.410 2.612 50 10 FFCARM O=C([O-])CCCN1C(=O)/C(=C\c2ccccc2[N+](=O)[O-])SC1=S ZINC000001916932 506270401 /nfs/dbraw/zinc/27/04/01/506270401.db2.gz KGSCKRDJVKGYIN-DHZHZOJOSA-N -1 0 352.393 2.661 50 10 FFCARM O=C([O-])[C@H](Cc1ccccc1)N1C(=O)/C(=C/c2cccnc2)SC1=S ZINC000001805466 506267794 /nfs/dbraw/zinc/26/77/94/506267794.db2.gz SOXZZAZQUQZHJV-QTNMRXCUSA-N -1 0 370.455 2.979 50 10 FFCARM O=C1[N-]C(=O)C(=Cc2ccccc2OCc2ccc(Cl)cc2)C(=O)N1 ZINC000005771855 506456343 /nfs/dbraw/zinc/45/63/43/506456343.db2.gz XBYMBGNFZRYDSV-UHFFFAOYSA-N -1 0 356.765 2.668 50 10 FFCARM CC(C)C[C@H]([NH2+]Cc1c([O-])ccc2c3c(c(=O)oc21)CCCC3)C(=O)[O-] ZINC000006262879 506472927 /nfs/dbraw/zinc/47/29/27/506472927.db2.gz PTFLFGVMVRNUKD-INIZCTEOSA-N -1 0 359.422 2.966 50 10 biogenic FFCARM CCOc1cccc2ccc(/C=C3\SC(=S)N(CC(=O)[O-])C3=O)nc21 ZINC000006660568 506495551 /nfs/dbraw/zinc/49/55/51/506495551.db2.gz YTDOBIMWAZCSNE-JYRVWZFOSA-N -1 0 374.443 2.919 50 10 FFCARM C[C@@H]1CCc2c(sc([N-]S(=O)(=O)c3ccccc3F)c2C(N)=O)C1 ZINC000007409939 506560326 /nfs/dbraw/zinc/56/03/26/506560326.db2.gz KEHYOGYDHSYKHN-SECBINFHSA-N -1 0 368.455 2.912 50 10 FFCARM CCOc1ccc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc1 ZINC000015823101 507061561 /nfs/dbraw/zinc/06/15/61/507061561.db2.gz BYCINVXTVHNUME-VBKFSLOCSA-N -1 0 352.415 2.917 50 10 FFCARM COc1ccccc1-c1coc2c(ccc([O-])c2C[N@H+](C)CC(=O)[O-])c1=O ZINC000094993345 508172246 /nfs/dbraw/zinc/17/22/46/508172246.db2.gz CTBNLNHFUCIVAL-UHFFFAOYSA-N -1 0 369.373 2.691 50 10 FFCARM COc1ccc(N2CCCN(C(=O)c3ccc([O-])c([N+](=O)[O-])c3)CC2)cc1 ZINC000164304906 509486787 /nfs/dbraw/zinc/48/67/87/509486787.db2.gz OIXXUGAYNFHMAR-UHFFFAOYSA-N -1 0 371.393 2.662 50 10 FFCARM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)C1=CNc1ccc(O)cc1 ZINC000101350869 570819289 /nfs/dbraw/zinc/81/92/89/570819289.db2.gz NTDLLYZVILGMDS-NTEUORMPSA-N -1 0 357.753 2.624 50 10 FFCARM CCOc1ccc(/C=C2/SC(=S)N(CCC(=O)[O-])C2=O)cc1OC ZINC000000967010 219347513 /nfs/dbraw/zinc/34/75/13/219347513.db2.gz VYIZULHTDXUVGN-UKTHLTGXSA-N -1 0 367.448 2.770 50 10 FFCARM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)c(C)n1C1CC1 ZINC000001161159 219384129 /nfs/dbraw/zinc/38/41/29/219384129.db2.gz JBVXTPBYVVLLCH-CXUHLZMHSA-N -1 0 353.378 2.695 50 10 FFCARM CC(=O)Nc1cccc([N-]S(=O)(=O)c2cccc3nsnc32)c1C ZINC000019079933 220235103 /nfs/dbraw/zinc/23/51/03/220235103.db2.gz DNAXKXIYMNDHEE-UHFFFAOYSA-N -1 0 362.436 2.759 50 10 FFCARM COc1cc(/C=C2/SC(N3CCCCC3)=NC2=O)cc([N+](=O)[O-])c1[O-] ZINC000096759407 222128595 /nfs/dbraw/zinc/12/85/95/222128595.db2.gz IDWJUMYILONVHH-UKTHLTGXSA-N -1 0 363.395 2.765 50 10 FFCARM CC(=O)Nc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccccc1N(C)C ZINC000097963967 222218094 /nfs/dbraw/zinc/21/80/94/222218094.db2.gz NLQLEIMLLLXQDK-BFQBXFRASA-N -1 0 364.409 2.701 50 10 FFCARM O=C1[N-]C(=O)N(CCC2=CCCCC2)C(=O)C1=CNCc1ccc(F)cc1 ZINC000101087859 222262199 /nfs/dbraw/zinc/26/21/99/222262199.db2.gz XZFIBOKAXBDXIF-LGMDPLHJSA-N -1 0 371.412 2.768 50 10 FFCARM CC(C)OC(=O)CN1C(=O)/C(=C/c2ccc(C(=O)[O-])cc2)SC1=S ZINC000001276867 506258553 /nfs/dbraw/zinc/25/85/53/506258553.db2.gz VTQZOLWCTMXYQF-GHXNOFRVSA-N -1 0 365.432 2.538 50 10 FFCARM COc1cc(/C=C2/C(=O)[N-]N(c3cccc(C)c3)C2=O)cc(Cl)c1O ZINC000004872943 506402709 /nfs/dbraw/zinc/40/27/09/506402709.db2.gz FEVQTMNFSGVPPP-QPEQYQDCSA-N -1 0 358.781 2.824 50 10 FFCARM CC(C)[C@H](C(=O)[O-])N1C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)SC1=S ZINC000005381490 506439684 /nfs/dbraw/zinc/43/96/84/506439684.db2.gz HQCAXLOOJFXWST-YTRUQHMWSA-N -1 0 366.420 2.905 50 10 FFCARM O=C([O-])CCOc1ccc(/C=C2\SC(N3CCCCC3)=NC2=O)cc1 ZINC000040114089 506467900 /nfs/dbraw/zinc/46/79/00/506467900.db2.gz HGKXBKDCPPGBOZ-QINSGFPZSA-N -1 0 360.435 2.996 50 10 FFCARM COc1cccc(N2C(=O)[N-]C(=O)C(=CNc3ccc(C)cc3)C2=O)c1 ZINC000016662483 507101995 /nfs/dbraw/zinc/10/19/95/507101995.db2.gz AMPITOIJDBGCKE-LFIBNONCSA-N -1 0 351.362 2.582 50 10 FFCARM Cc1[n-]n(C(N)=S)c(=O)c1N=Nc1ccc(C)c(Br)c1 ZINC000252461109 520889139 /nfs/dbraw/zinc/88/91/39/520889139.db2.gz KPCFIFMDHBMEAA-JTQLQIEISA-N -1 0 354.233 2.672 50 10 FFCARM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)ccc1O ZINC000002218706 535659177 /nfs/dbraw/zinc/65/91/77/535659177.db2.gz JRWPPLFECHOETB-NTEUORMPSA-N -1 0 370.336 2.596 50 10 FFCARM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc1 ZINC000002958287 536597678 /nfs/dbraw/zinc/59/76/78/536597678.db2.gz ZVPRDFDOMJFREM-GZTJUZNOSA-N -1 0 350.374 2.978 50 10 FFCARM CCCN1C(=O)c2ccc(C(=O)Nc3ccccc3C(=O)[O-])cc2C1=O ZINC000000692528 219313994 /nfs/dbraw/zinc/31/39/94/219313994.db2.gz PALGJGDFETVZQU-UHFFFAOYSA-N -1 0 352.346 2.643 50 10 FFCARM O=C([O-])COc1ccccc1/C=C1/SC(=S)N(c2cccnc2)C1=O ZINC000001255222 219393037 /nfs/dbraw/zinc/39/30/37/219393037.db2.gz MCHZWTRWIBITMF-RIYZIHGNSA-N -1 0 372.427 2.951 50 10 FFCARM CC[C@H](C(=O)[O-])N1C(=O)/C(=C/c2cc(OC)ccc2OC)SC1=S ZINC000001831076 219419529 /nfs/dbraw/zinc/41/95/29/219419529.db2.gz FLFCFEDTFZSJEA-JYVXZMADSA-N -1 0 367.448 2.768 50 10 FFCARM CCOc1cc(/C=C2/C(=O)[N-]N(c3cccc(Cl)c3)C2=O)ccc1O ZINC000013108114 220057908 /nfs/dbraw/zinc/05/79/08/220057908.db2.gz VQEMYDVBZOWFAX-ZSOIEALJSA-N -1 0 358.781 2.906 50 10 FFCARM CC[C@@H](C)[C@H]([NH2+]Cc1c([O-])ccc2c3c(c(=O)oc21)CCCC3)C(=O)[O-] ZINC000013540237 220072365 /nfs/dbraw/zinc/07/23/65/220072365.db2.gz UYFNOTJIQGIEIF-DIFFPNOSSA-N -1 0 359.422 2.966 50 10 FFCARM O=C1[N-]C(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccccc1O ZINC000001198354 132380966 /nfs/dbraw/zinc/38/09/66/132380966.db2.gz SUKQZZIKSPFEBO-MDWZMJQESA-N -1 0 358.806 2.877 50 10 FFCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc4c(c3)OCO4)C2=O)cc1C ZINC000001208473 132381220 /nfs/dbraw/zinc/38/12/20/132381220.db2.gz YDRYAQYPPRCDKY-OVCLIPMQSA-N -1 0 364.357 2.699 50 10 FFCARM CCOc1cccc(/C=C2/SC(=S)N(CC)C2=O)c1OCC(=O)[O-] ZINC000004739742 506391173 /nfs/dbraw/zinc/39/11/73/506391173.db2.gz SNYBHUUFBPUWKB-XYOKQWHBSA-N -1 0 367.448 2.770 50 10 FFCARM COc1cccc(NC=C2C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)c1 ZINC000005648587 506452275 /nfs/dbraw/zinc/45/22/75/506452275.db2.gz YDQDDZVKJTUGTN-PTNGSMBKSA-N -1 0 351.362 2.582 50 10 FFCARM COc1ccc(NC=C2C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)cc1 ZINC000005880063 506459053 /nfs/dbraw/zinc/45/90/53/506459053.db2.gz RYSIFWGHXCEFAZ-GDNBJRDFSA-N -1 0 371.393 2.578 50 10 FFCARM O=C([O-])CCCN1C(=O)/C(=C/c2ccc3nccnc3c2)SC1=S ZINC000011690033 506788657 /nfs/dbraw/zinc/78/86/57/506788657.db2.gz TVGGMWWAMQXRSI-LCYFTJDESA-N -1 0 359.432 2.696 50 10 FFCARM C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2C=C2C(=O)[N-]C(=O)NC2=O)[C@@H](C)C1 ZINC000015188030 507024263 /nfs/dbraw/zinc/02/42/63/507024263.db2.gz VHLWLNSUOHUUMG-MNOVXSKESA-N -1 0 372.381 2.809 50 10 FFCARM COc1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000002892701 536655369 /nfs/dbraw/zinc/65/53/69/536655369.db2.gz CVJWSCIQILGMSP-GDNBJRDFSA-N -1 0 371.780 2.927 50 10 FFCARM COc1ccccc1N1C(=O)C(=CNc2ccccc2F)C(=O)[N-]C1=S ZINC000103843163 570852890 /nfs/dbraw/zinc/85/28/90/570852890.db2.gz GMAPXJTVTZMETN-ZHACJKMWSA-N -1 0 371.393 2.578 50 10 FFCARM COc1cc(/C=C2\C(=O)[N-]N(c3ccc(Cl)cc3)C2=O)cc(OC)c1O ZINC000000783634 219320708 /nfs/dbraw/zinc/32/07/08/219320708.db2.gz XNVQAICAHZDMGD-NTUHNPAUSA-N -1 0 374.780 2.524 50 10 FFCARM Cc1c(C=C2C(=O)[N-]C(=O)NC2=O)c2ccccc2n1Cc1ccccc1 ZINC000001168697 219384631 /nfs/dbraw/zinc/38/46/31/219384631.db2.gz HOYDIUADODFENZ-UHFFFAOYSA-N -1 0 359.385 2.747 50 10 FFCARM O=C([O-])CCCCCN1C(=O)/C(=C/c2ccc(O)c(O)c2)SC1=S ZINC000001916895 219421950 /nfs/dbraw/zinc/42/19/50/219421950.db2.gz OTXLDXUEYYRUQY-LCYFTJDESA-N -1 0 367.448 2.944 50 10 FFCARM Cc1cc(/C=C2/C(=O)[N-]C(=O)N(C)C2=O)c(C)n1-c1ccc(C)c(C)c1 ZINC000013895978 220098168 /nfs/dbraw/zinc/09/81/68/220098168.db2.gz ZLWLGDPVSRFLKF-YVLHZVERSA-N -1 0 351.406 2.803 50 10 FFCARM O=C1[N-]C(=O)N(c2ccccc2F)C(=O)C1=CNCCC1=CCCCC1 ZINC000002892929 132384282 /nfs/dbraw/zinc/38/42/82/132384282.db2.gz HOMBYHPWJGJCTF-WYMLVPIESA-N -1 0 357.385 2.773 50 10 FFCARM Cc1cc(C=C2C(=O)[N-]C(=O)N(C)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1 ZINC000001105348 506249956 /nfs/dbraw/zinc/24/99/56/506249956.db2.gz GTJODDGEZASBKB-OQLLNIDSSA-N -1 0 368.349 2.934 50 10 FFCARM CCOc1cc(/C=C2\SC(=S)N([C@H](CC)C(=O)[O-])C2=O)ccc1O ZINC000001806908 506267996 /nfs/dbraw/zinc/26/79/96/506267996.db2.gz ZOTFGTNTTRFCIK-GARZTLJTSA-N -1 0 367.448 2.855 50 10 FFCARM O=C([O-])CCN1C(=O)/C(=C/c2ccc(N3CCCCC3)o2)SC1=S ZINC000002326322 506277531 /nfs/dbraw/zinc/27/75/31/506277531.db2.gz UZAFTHBRMSJAOS-BENRWUELSA-N -1 0 366.464 2.946 50 10 FFCARM O=C([O-])CN1C(=O)/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)SC1=S ZINC000003044220 506307848 /nfs/dbraw/zinc/30/78/48/506307848.db2.gz MCOUEQRPOHYVLX-RUDMXATFSA-N -1 0 358.784 2.534 50 10 FFCARM O=C([O-])CCN1C(=O)C(=Cc2c[nH]nc2-c2ccccc2)SC1=S ZINC000004980767 506410793 /nfs/dbraw/zinc/41/07/93/506410793.db2.gz AAYIXDPBOYLITQ-WQLSENKSSA-N -1 0 359.432 2.753 50 10 FFCARM CC[C@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(OC)cc2OC)SC1=S ZINC000005960798 506462916 /nfs/dbraw/zinc/46/29/16/506462916.db2.gz JTMHWUQRWYGWFD-ZTFCMROMSA-N -1 0 367.448 2.768 50 10 FFCARM C[C@H]1CCc2c(sc([N-]S(=O)(=O)c3ccccc3F)c2C(N)=O)C1 ZINC000007409940 506560187 /nfs/dbraw/zinc/56/01/87/506560187.db2.gz KEHYOGYDHSYKHN-VIFPVBQESA-N -1 0 368.455 2.912 50 10 FFCARM CCOc1ccc(N2C(=O)[N-]C(=O)C(=CNc3ccc(C)cc3)C2=O)cc1 ZINC000017086519 507116271 /nfs/dbraw/zinc/11/62/71/507116271.db2.gz UZASYOIUSDIHAZ-SFQUDFHCSA-N -1 0 365.389 2.973 50 10 FFCARM O=C([O-])CN1C(=O)/C(=C/c2csc(Br)c2)SC1=S ZINC000048288992 570941164 /nfs/dbraw/zinc/94/11/64/570941164.db2.gz ASVCYJRINAKVQW-BHQIHCQQSA-N -1 0 364.267 2.796 50 10 FFCARM COc1cc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)cc(Cl)c1OC ZINC000001071397 219364623 /nfs/dbraw/zinc/36/46/23/219364623.db2.gz ICZLPOBPENZLSH-MDWZMJQESA-N -1 0 358.781 2.819 50 10 FFCARM COc1ccc(/C=C2/C(=O)[N-]N(c3cccc(Cl)c3)C2=O)cc1OC ZINC000016671407 220191050 /nfs/dbraw/zinc/19/10/50/220191050.db2.gz WPVUPOQCFQGYOA-ZSOIEALJSA-N -1 0 358.781 2.819 50 10 FFCARM COc1ccc(OC)c(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)c1 ZINC000001067001 132379803 /nfs/dbraw/zinc/37/98/03/132379803.db2.gz ILWFAGQJQUWENB-JLHYYAGUSA-N -1 0 370.336 2.509 50 10 FFCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N(C)C)o3)C2=O)cc1C ZINC000001180252 132380739 /nfs/dbraw/zinc/38/07/39/132380739.db2.gz KUWABFOPZLEYAW-XNTDXEJSSA-N -1 0 353.378 2.629 50 10 FFCARM O=C1[N-]C(=O)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1ccco1 ZINC000002287117 132383117 /nfs/dbraw/zinc/38/31/17/132383117.db2.gz LFLLHSNVMDWMQV-XYOKQWHBSA-N -1 0 350.252 2.965 50 10 FFCARM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc([N+](=O)[O-])o3)C2=O)cc1 ZINC000002280212 132383125 /nfs/dbraw/zinc/38/31/25/132383125.db2.gz NYOVVPQEUCYLSQ-XYOKQWHBSA-N -1 0 357.278 2.703 50 10 FFCARM COC(=O)Cc1[n-]n(-c2ccccc2)c(=O)c1C(C)=Nc1ccccn1 ZINC000100423565 222243793 /nfs/dbraw/zinc/24/37/93/222243793.db2.gz QJZQTKMOKUMERL-AQTBWJFISA-N -1 0 350.378 2.733 50 10 FFCARM CCOc1cc(/C=C2\SC(=S)N([C@@H](CC)C(=O)[O-])C2=O)ccc1O ZINC000001806904 506268012 /nfs/dbraw/zinc/26/80/12/506268012.db2.gz ZOTFGTNTTRFCIK-AAIQCTMTSA-N -1 0 367.448 2.855 50 10 FFCARM CC(C)[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)SC1=S ZINC000002899489 506299592 /nfs/dbraw/zinc/29/95/92/506299592.db2.gz BFPBXCKFHXGRIN-RDQDRAATSA-N -1 0 366.420 2.905 50 10 FFCARM Cc1cc(/C=C2/SC(=O)N(CC(=O)[O-])C2=O)c(C)n1-c1ccccn1 ZINC000004675839 506386776 /nfs/dbraw/zinc/38/67/76/506386776.db2.gz LJXJGKXLHGXKJA-MDWZMJQESA-N -1 0 357.391 2.610 50 10 FFCARM COc1cccc(/C=C2/C(=O)[N-]N(c3ccc(C)c(Cl)c3)C2=O)c1O ZINC000005173457 506427190 /nfs/dbraw/zinc/42/71/90/506427190.db2.gz FRUOVUFSZHAREY-JYRVWZFOSA-N -1 0 358.781 2.824 50 10 FFCARM COc1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@@H](c3ccccc3O)C2)cc1 ZINC000006729507 506500133 /nfs/dbraw/zinc/50/01/33/506500133.db2.gz YFDRWMZASDIWNE-QGZVFWFLSA-N -1 0 368.389 2.943 50 10 FFCARM COc1ccc(NC=C2C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc1 ZINC000006924765 506516885 /nfs/dbraw/zinc/51/68/85/506516885.db2.gz LAMMFZIDWGGCJO-GDNBJRDFSA-N -1 0 371.780 2.927 50 10 FFCARM COc1cc(C)c(/C=C2/C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc1C ZINC000001186979 1014450116 /nfs/dbraw/zinc/45/01/16/1014450116.db2.gz OOLXTPVMBSCBMS-DHDCSXOGSA-N -1 0 354.362 2.567 50 10 FFCARM Cc1[n-]n(C(N)=S)c(=O)c1N=Nc1ccc(C(=O)c2ccccc2)cc1 ZINC000100524811 205944256 /nfs/dbraw/zinc/94/42/56/205944256.db2.gz VPJVPVOWYNOUDQ-WGLILOHCSA-N -1 0 365.418 2.832 50 10 FFCARM COc1ccccc1NC=C1C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O ZINC000095471533 132211458 /nfs/dbraw/zinc/21/14/58/132211458.db2.gz ZCWCORLNUIYLBH-RAXLEYEMSA-N -1 0 371.780 2.927 50 10 FFCARM O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C/c1ccc(N2CCCC2)cc1 ZINC000001192411 132252269 /nfs/dbraw/zinc/25/22/69/132252269.db2.gz FMJDMKLUBPUYDL-NBVRZTHBSA-N -1 0 361.401 2.953 50 10 FFCARM O=C1[N-]C(=S)N(c2ccc(F)cc2)C(=O)C1=CNc1ccc(F)cc1 ZINC000002892695 132253851 /nfs/dbraw/zinc/25/38/51/132253851.db2.gz ZQVCPHRNMNHUND-ZROIWOOFSA-N -1 0 359.357 2.709 50 10 FFCARM COc1ccc(-n2c(C)cc(C=C3C(=O)[N-]C(=O)NC3=O)c2C)cc1Cl ZINC000001131460 506249657 /nfs/dbraw/zinc/24/96/57/506249657.db2.gz RKWJZXNDZAUMCU-UHFFFAOYSA-N -1 0 373.796 2.506 50 10 FFCARM CC(=O)Oc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc1 ZINC000004703328 506389581 /nfs/dbraw/zinc/38/95/81/506389581.db2.gz JZSOOUGFMUBDME-GZTJUZNOSA-N -1 0 364.357 2.587 50 10 FFCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc([N+](=O)[O-])o3)C2=O)cc1C ZINC000008914478 506672709 /nfs/dbraw/zinc/67/27/09/506672709.db2.gz HJUMUWWZTWNEIF-MDWZMJQESA-N -1 0 355.306 2.675 50 10 FFCARM O=C1[N-]N(c2cccc(Br)c2)C(=O)/C1=C\c1ccc(O)cc1 ZINC000013603127 506947324 /nfs/dbraw/zinc/94/73/24/506947324.db2.gz YWMVPFBAULHSJP-ZSOIEALJSA-N -1 0 359.179 2.616 50 10 FFCARM CN(C)c1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc1 ZINC000013765807 506956060 /nfs/dbraw/zinc/95/60/60/506956060.db2.gz YLXZWQBMQUKVDJ-WJDWOHSUSA-N -1 0 353.353 2.558 50 10 FFCARM CC(C)C[C@@H]([NH2+]Cc1c([O-])ccc2c3c(c(=O)oc21)CCCC3)C(=O)[O-] ZINC000016032404 507070117 /nfs/dbraw/zinc/07/01/17/507070117.db2.gz PTFLFGVMVRNUKD-MRXNPFEDSA-N -1 0 359.422 2.966 50 10 FFCARM Cc1ccc(N2C(=O)/C(=C/c3ccc(N(C)C)o3)C(=O)[N-]C2=S)c(C)c1 ZINC000000664789 524915989 /nfs/dbraw/zinc/91/59/89/524915989.db2.gz QZVNUJQTHTYOHM-GXDHUFHOSA-N -1 0 369.446 2.794 50 10 FFCARM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc1OC ZINC000001192771 536598411 /nfs/dbraw/zinc/59/84/11/536598411.db2.gz JRDXVHFORFPINK-XNTDXEJSSA-N -1 0 366.373 2.679 50 10 FFCARM COc1ccc(N2C(=O)/C(=C\c3ccsc3)C(=O)[N-]C2=S)c(OC)c1 ZINC000004470588 536658928 /nfs/dbraw/zinc/65/89/28/536658928.db2.gz OODPMKXHUVCJLB-GHXNOFRVSA-N -1 0 374.443 2.597 50 10 FFCARM COc1ccc(NC=C2C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)cc1 ZINC000101350910 570819279 /nfs/dbraw/zinc/81/92/79/570819279.db2.gz PDWYBVFGYQNJCB-LFIBNONCSA-N -1 0 351.362 2.582 50 10 FFCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=CNc3ccc(O)cc3C)C2=O)cc1 ZINC000103255492 570847273 /nfs/dbraw/zinc/84/72/73/570847273.db2.gz OITPHZGZDGMBQI-XNTDXEJSSA-N -1 0 351.362 2.588 50 10 FFCARM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)C1=CNc1cccc(O)c1 ZINC000103790777 570852831 /nfs/dbraw/zinc/85/28/31/570852831.db2.gz ZAINIGNXUYCTDY-NTEUORMPSA-N -1 0 357.753 2.624 50 10 FFCARM O=C1[N-]C(=O)C(=Cc2ccc(OCc3ccccc3)c(Cl)c2)C(=O)N1 ZINC000002801796 204059203 /nfs/dbraw/zinc/05/92/03/204059203.db2.gz WRVHQWWSXALWDA-UHFFFAOYSA-N -1 0 356.765 2.668 50 10 FFCARM O=C1[N-]C(=O)C(=Cc2cccn2-c2ccc([N+](=O)[O-])cc2Cl)C(=O)N1 ZINC000004908810 204174345 /nfs/dbraw/zinc/17/43/45/204174345.db2.gz FJDIQKKPGDFBJT-UHFFFAOYSA-N -1 0 360.713 2.629 50 10 FFCARM O=C([O-])[C@@H](Cc1ccccc1)N1C(=O)/C(=C\c2cccnc2)SC1=S ZINC000005814018 204225472 /nfs/dbraw/zinc/22/54/72/204225472.db2.gz SOXZZAZQUQZHJV-MFYHJKBNSA-N -1 0 370.455 2.979 50 10 FFCARM COc1ccc2c(/C=C3\SC(=S)N(CCC(=O)[O-])C3=O)c[nH]c2c1 ZINC000006661084 204259236 /nfs/dbraw/zinc/25/92/36/204259236.db2.gz DBBIVAFANPYHAC-MLPAPPSSSA-N -1 0 362.432 2.852 50 10 FFCARM O=C1[N-]C(=O)C(=Cc2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)N1 ZINC000009319490 204363577 /nfs/dbraw/zinc/36/35/77/204363577.db2.gz LFDCTFOZNHPJED-UHFFFAOYSA-N -1 0 356.765 2.668 50 10 FFCARM Cc1[n-]n(C(N)=S)c(=O)c1N=Nc1ccc(C)c(Br)c1 ZINC000100524839 205944487 /nfs/dbraw/zinc/94/44/87/205944487.db2.gz KPCFIFMDHBMEAA-ZAUPALIDSA-N -1 0 354.233 2.672 50 10 FFCARM COc1cccc(N2C(=O)[N-]C(=O)C(=CNCCC3=CCCCC3)C2=O)c1 ZINC000100401503 132232687 /nfs/dbraw/zinc/23/26/87/132232687.db2.gz QNEWKCANABXNFB-LGMDPLHJSA-N -1 0 369.421 2.642 50 10 FFCARM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1O ZINC000001168254 132380730 /nfs/dbraw/zinc/38/07/30/132380730.db2.gz LYZCMFMJGJQSAS-OQLLNIDSSA-N -1 0 366.373 2.684 50 10 FFCARM COc1cc(C=C2C(=O)[N-]C(=O)NC2=O)ccc1O[C@@H](C)c1ccccc1 ZINC000001191698 506254815 /nfs/dbraw/zinc/25/48/15/506254815.db2.gz JOSPBWIGPZUESR-LBPRGKRZSA-N -1 0 366.373 2.585 50 10 FFCARM CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(O)c(OC)c2)C1=O ZINC000004724560 506391126 /nfs/dbraw/zinc/39/11/26/506391126.db2.gz KGJSIAOJDBAHDX-UVTDQMKNSA-N -1 0 366.373 2.630 50 10 FFCARM COc1ccc(N2C(=O)[N-]C(=O)C(=CC=CNc3ccccc3)C2=O)cc1 ZINC000004834356 506396536 /nfs/dbraw/zinc/39/65/36/506396536.db2.gz NQZDSRHGZYFTQL-DSIZIARHSA-N -1 0 363.373 2.830 50 10 FFCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=CNCc3ccc(F)cc3)C2=O)cc1C ZINC000005647435 506453413 /nfs/dbraw/zinc/45/34/13/506453413.db2.gz WUOAKEBALBZYHL-BOPFTXTBSA-N -1 0 367.380 2.699 50 10 FFCARM CN1CCN(Cc2c([O-])ccc3c(=O)c(-c4ccccc4)coc32)CC1 ZINC000019787331 507200528 /nfs/dbraw/zinc/20/05/28/507200528.db2.gz VSMLQNUBARVEKK-UHFFFAOYSA-N -1 0 350.418 2.913 50 10 biogenic FFCARM CC(=O)Nc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(N(C)C)cc1 ZINC000097963966 508230792 /nfs/dbraw/zinc/23/07/92/508230792.db2.gz DXXXWMPJYWFKLI-SIUCFOQUSA-N -1 0 364.409 2.701 50 10 FFCARM O=C1[N-]C(=O)N(c2ccccc2)C(=O)C1=CNc1cc(Cl)ccc1O ZINC000104221717 570858404 /nfs/dbraw/zinc/85/84/04/570858404.db2.gz OYRKJDNVXYIVJV-FMIVXFBMSA-N -1 0 357.753 2.624 50 10 FFCARM CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccccc3)C2=O)cc1 ZINC000002964348 966984950 /nfs/dbraw/zinc/98/49/50/966984950.db2.gz AZIYWQUCFGXFEA-SFQUDFHCSA-N -1 0 350.374 2.747 50 10 FFCARM CCOc1cc(/C=C2/SC(=S)N(CCCC(=O)[O-])C2=O)ccc1O ZINC000001886890 204022261 /nfs/dbraw/zinc/02/22/61/204022261.db2.gz UTSVWIRGDCHBKN-UKTHLTGXSA-N -1 0 367.448 2.857 50 10 FFCARM CCc1ccc(N2[N-]C(=O)/C(=C/c3cccc(OC(C)=O)c3)C2=O)cc1 ZINC000004656222 204151308 /nfs/dbraw/zinc/15/13/08/204151308.db2.gz UZIUFBSQLZPKDM-PDGQHHTCSA-N -1 0 350.374 2.636 50 10 FFCARM Cc1cccc(Cn2cc(C=C3C(=O)[N-]C(=O)NC3=O)c3ccccc32)c1 ZINC000004703339 204156594 /nfs/dbraw/zinc/15/65/94/204156594.db2.gz WPJKIKMNLWWZRX-UHFFFAOYSA-N -1 0 359.385 2.747 50 10 FFCARM CC(C)[C@H](C(=O)[O-])N1C(=O)/C(=C\c2ccccc2[N+](=O)[O-])SC1=S ZINC000006238684 204242619 /nfs/dbraw/zinc/24/26/19/204242619.db2.gz YMNOJXWETGGYMP-YTRUQHMWSA-N -1 0 366.420 2.905 50 10 FFCARM Cc1ccc(N2C(=O)/C(=C/c3ccc4c(c3)OCO4)C(=O)[N-]C2=S)cc1 ZINC000006300274 132258777 /nfs/dbraw/zinc/25/87/77/132258777.db2.gz GXDIUSGNDJIQMN-RIYZIHGNSA-N -1 0 366.398 2.555 50 10 FFCARM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)ccc1O ZINC000000986610 132379448 /nfs/dbraw/zinc/37/94/48/132379448.db2.gz GFJJNSLCJQVABG-DHZHZOJOSA-N -1 0 372.764 2.721 50 10 FFCARM Cn1cccc1/C=C1\C(=O)[N-]C(=O)N(c2cccc(Cl)c2Cl)C1=O ZINC000001134394 132380389 /nfs/dbraw/zinc/38/03/89/132380389.db2.gz FJGJGBVTTMNJPF-CSKARUKUSA-N -1 0 364.188 2.998 50 10 FFCARM CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(O)c(OC)c2)C1=O ZINC000001175805 132380677 /nfs/dbraw/zinc/38/06/77/132380677.db2.gz KGJSIAOJDBAHDX-GXDHUFHOSA-N -1 0 366.373 2.630 50 10 FFCARM O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)C1=CNCc1ccccc1F ZINC000002892660 132384231 /nfs/dbraw/zinc/38/42/31/132384231.db2.gz DBNTWZZNDOTVNA-BENRWUELSA-N -1 0 373.771 2.736 50 10 FFCARM COc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(C)s3)C2=O)cc1 ZINC000001197294 506253922 /nfs/dbraw/zinc/25/39/22/506253922.db2.gz OXTNSWDNVQKYKF-OQLLNIDSSA-N -1 0 356.403 2.727 50 10 FFCARM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)C1=CNc1cccc(O)c1 ZINC000005447837 506442970 /nfs/dbraw/zinc/44/29/70/506442970.db2.gz ZAINIGNXUYCTDY-ZROIWOOFSA-N -1 0 357.753 2.624 50 10 FFCARM NC(=O)c1cc(C2=Nn3cc(-c4ccccc4)nc3SC2)ccc1[O-] ZINC000014901410 507004036 /nfs/dbraw/zinc/00/40/36/507004036.db2.gz MCDIBEZGQXXLAK-UHFFFAOYSA-N -1 0 350.403 2.713 50 10 FFCARM CN(C)c1ccc(/C=C2/C(=O)[N-]C(=S)N(c3cccc(F)c3)C2=O)cc1 ZINC000016212390 507079362 /nfs/dbraw/zinc/07/93/62/507079362.db2.gz HCPAWGMZJCNIJJ-YBEGLDIGSA-N -1 0 369.421 2.723 50 10 FFCARM COC(=O)c1ccc(/C=C2/C(=O)[N-]N(c3ccc(F)c(Cl)c3)C2=O)cc1 ZINC000017150088 507116243 /nfs/dbraw/zinc/11/62/43/507116243.db2.gz GMDFXXMEAPDZAS-JYRVWZFOSA-N -1 0 374.755 2.727 50 10 FFCARM CCOc1cccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c1O ZINC000019788543 507201368 /nfs/dbraw/zinc/20/13/68/507201368.db2.gz FNWLFFBPRHXVLU-PTNGSMBKSA-N -1 0 366.373 2.766 50 10 FFCARM NC(=O)c1sc2nc(N3CCOCC3)cc(-c3ccccc3)c2c1[O-] ZINC000020713745 507232104 /nfs/dbraw/zinc/23/21/04/507232104.db2.gz YTEDPPLHRYOHBF-UHFFFAOYSA-N -1 0 355.419 2.604 50 10 FFCARM O=C([O-])c1cc(N2C(=O)/C(=C\c3ccncc3)SC2=S)ccc1O ZINC000027530453 507662280 /nfs/dbraw/zinc/66/22/80/507662280.db2.gz BPZWBCDGHZNNPL-NTUHNPAUSA-N -1 0 358.400 2.891 50 10 FFCARM COc1ccccc1N=Nc1c(NC(C)=O)[n-]n(-c2ccccc2)c1=O ZINC000097963989 508230703 /nfs/dbraw/zinc/23/07/03/508230703.db2.gz BYFVGEUWZYVZGO-BZROSYFNSA-N -1 0 351.366 2.644 50 10 FFCARM CC(=O)NC1=NC(=O)/C(=C\c2ccc(OC(=O)c3ccco3)cc2)S1 ZINC000211027962 509239976 /nfs/dbraw/zinc/23/99/76/509239976.db2.gz RWFDANYMTMYZFT-NTEUORMPSA-N -1 0 356.359 2.605 50 10 FFCARM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)cc1OC ZINC000001225777 536596875 /nfs/dbraw/zinc/59/68/75/536596875.db2.gz VHQBLFDKZDUWNW-GXDHUFHOSA-N -1 0 366.373 2.679 50 10 FFCARM COc1ccc(N2C(=O)C(=Cc3ccc([N+](=O)[O-])o3)C(=O)[N-]C2=S)cc1 ZINC000001197700 536658151 /nfs/dbraw/zinc/65/81/51/536658151.db2.gz GHTUWPVHLQSNNA-XYOKQWHBSA-N -1 0 373.346 2.868 50 10 FFCARM O=C([O-])CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S ZINC000001774428 204019783 /nfs/dbraw/zinc/01/97/83/204019783.db2.gz VQEGBPLWBGWJNY-UITAMQMPSA-N -1 0 358.238 2.735 50 10 FFCARM CC[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2cccc(OC)c2OC)SC1=S ZINC000001834048 204021672 /nfs/dbraw/zinc/02/16/72/204021672.db2.gz OMNHPQAHMDGVLG-UVIKPUKZSA-N -1 0 367.448 2.768 50 10 FFCARM COc1cccc(/C=C2\C(=O)N(c3ccccc3)N=C2C)c1OCC(=O)[O-] ZINC000004302927 204130737 /nfs/dbraw/zinc/13/07/37/204130737.db2.gz YBPZLJSVURLTRZ-WJDWOHSUSA-N -1 0 366.373 2.965 50 10 FFCARM COc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc([N+](=O)[O-])o3)C2=O)c1 ZINC000001857961 132382529 /nfs/dbraw/zinc/38/25/29/132382529.db2.gz DZJODUKGBWATLJ-XYOKQWHBSA-N -1 0 357.278 2.703 50 10 FFCARM Cc1cc(C=C2C(=O)[N-]C(=O)NC2=O)c(C)n1-c1cc(Cl)ccc1C ZINC000001163715 506251756 /nfs/dbraw/zinc/25/17/56/506251756.db2.gz OVVQPMICMDOTIQ-UHFFFAOYSA-N -1 0 357.797 2.805 50 10 FFCARM O=C1[N-]C(=O)C(=Cc2ccc(OCc3c(F)cccc3Cl)cc2)C(=O)N1 ZINC000001172015 506252501 /nfs/dbraw/zinc/25/25/01/506252501.db2.gz WVKAUYRRLSJKAN-UHFFFAOYSA-N -1 0 374.755 2.808 50 10 FFCARM O=C1[N-]C(=O)C(=Cc2ccc(Sc3nc4ccccc4s3)o2)C(=O)N1 ZINC000002870190 506298678 /nfs/dbraw/zinc/29/86/78/506298678.db2.gz HYYQOMXXWFIWNS-UHFFFAOYSA-N -1 0 371.399 2.790 50 10 FFCARM O=C1[N-]C(=O)N(c2ccccc2)C(=O)C1=CNc1cc(Cl)ccc1O ZINC000004831993 506397866 /nfs/dbraw/zinc/39/78/66/506397866.db2.gz OYRKJDNVXYIVJV-XFXZXTDPSA-N -1 0 357.753 2.624 50 10 FFCARM Cc1ccccc1N1C(=O)/C(=C\c2ccc(N(C)C)cc2)C(=O)[N-]C1=S ZINC000016309448 507080629 /nfs/dbraw/zinc/08/06/29/507080629.db2.gz WEOZXFSNJOQQMH-VBKFSLOCSA-N -1 0 365.458 2.892 50 10 FFCARM CCOc1ccc(/C=C2/C(=O)[N-]N(c3ccc(C)cc3)C2=O)cc1OC ZINC000016671905 507103779 /nfs/dbraw/zinc/10/37/79/507103779.db2.gz QAVWRKCTUJFKQY-WJDWOHSUSA-N -1 0 352.390 2.864 50 10 FFCARM CCOc1ccc(/C=C2/C(=O)[N-]N(c3cccc(F)c3)C2=O)cc1OC ZINC000017193944 507118848 /nfs/dbraw/zinc/11/88/48/507118848.db2.gz BUCGNDUGZZYVHL-DHDCSXOGSA-N -1 0 356.353 2.694 50 10 FFCARM COc1cc(C)c([N-]S(=O)(=O)c2cccc3nsnc32)cc1OC ZINC000019079139 507153923 /nfs/dbraw/zinc/15/39/23/507153923.db2.gz VCBSADOGIDDSQY-UHFFFAOYSA-N -1 0 365.436 2.818 50 10 FFCARM COc1ccc(N2CCN(c3ncc(C(=O)[O-])c(C(C)C)n3)CC2)cc1 ZINC000169751633 536701812 /nfs/dbraw/zinc/70/18/12/536701812.db2.gz RCEBWLNPBVLXNH-UHFFFAOYSA-N -1 0 356.426 2.633 50 10 FFCARM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccc(OC)c3)C2=O)cc1 ZINC000005953630 976101988 /nfs/dbraw/zinc/10/19/88/976101988.db2.gz GPANKMZHUNHTJZ-ATVHPVEESA-N -1 0 366.373 2.760 50 10 FFCARM O=C([O-])[C@@H](Cc1ccccc1)N1C(=O)/C(=C/c2cccnc2)SC1=S ZINC000001805472 204019579 /nfs/dbraw/zinc/01/95/79/204019579.db2.gz SOXZZAZQUQZHJV-MKRLJBPISA-N -1 0 370.455 2.979 50 10 FFCARM CCCOc1ccc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)cc1OC ZINC000002920223 204067651 /nfs/dbraw/zinc/06/76/51/204067651.db2.gz ZQGJPTAMOXUTJZ-FOWTUZBSSA-N -1 0 352.390 2.945 50 10 FFCARM CC(C)[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)SC1=S ZINC000006049869 204234728 /nfs/dbraw/zinc/23/47/28/204234728.db2.gz BFPBXCKFHXGRIN-VNKGSWCUSA-N -1 0 366.420 2.905 50 10 FFCARM Cc1cc(N2CCCC2)ccc1/C=C1/SC(=S)N(CC(=O)[O-])C1=O ZINC000006275787 204243837 /nfs/dbraw/zinc/24/38/37/204243837.db2.gz IDRSXAQPEQLCQQ-NTEUORMPSA-N -1 0 362.476 2.881 50 10 FFCARM COc1ccc2nc(/C=C3\SC(=S)N(CC(=O)[O-])C3=O)ccc2c1 ZINC000006660571 204260075 /nfs/dbraw/zinc/26/00/75/204260075.db2.gz KZXSHXREGXPKAA-QPEQYQDCSA-N -1 0 360.416 2.529 50 10 FFCARM O=C([O-])CCCN1C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)SC1=S ZINC000001907748 206151299 /nfs/dbraw/zinc/15/12/99/206151299.db2.gz LOTIXJJEUCFISL-FLIBITNWSA-N -1 0 352.393 2.661 50 10 FFCARM CC[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2cc(OC)ccc2OC)SC1=S ZINC000006080697 206199695 /nfs/dbraw/zinc/19/96/95/206199695.db2.gz FLFCFEDTFZSJEA-ZWSXMNCCSA-N -1 0 367.448 2.768 50 10 FFCARM COc1ccccc1N1C(=O)/C(=C/C=C/c2ccco2)C(=O)[N-]C1=S ZINC000002281088 132253446 /nfs/dbraw/zinc/25/34/46/132253446.db2.gz QBRKNCNOPOWDMA-HDZFOZLDSA-N -1 0 354.387 2.676 50 10 FFCARM CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OC)cc2)C1=O ZINC000001182202 132380900 /nfs/dbraw/zinc/38/09/00/132380900.db2.gz WVPYNQYATMXCTI-NTCAYCPXSA-N -1 0 366.373 2.760 50 10 FFCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=CNc3ccc(O)cc3)C2=O)cc1C ZINC000075278414 136150352 /nfs/dbraw/zinc/15/03/52/136150352.db2.gz VAYCAMIBKVTXFZ-MHWRWJLKSA-N -1 0 351.362 2.588 50 10 FFCARM COc1ccc(-n2cccc2/C=C2/SC(=S)N(CC(=O)[O-])C2=O)cc1 ZINC000001105544 506250776 /nfs/dbraw/zinc/25/07/76/506250776.db2.gz ROIUPJOMFWLCRH-NTEUORMPSA-N -1 0 374.443 2.772 50 10 FFCARM COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c(C)c1 ZINC000015013033 507012182 /nfs/dbraw/zinc/01/21/82/507012182.db2.gz DBBKYKMXMJFPCC-BOPFTXTBSA-N -1 0 350.374 2.978 50 10 FFCARM COc1ccc(N2C(=O)C(=CNc3ccccc3F)C(=O)[N-]C2=S)cc1 ZINC000016662494 507101903 /nfs/dbraw/zinc/10/19/03/507101903.db2.gz PYKUZCXMBLNYDZ-RAXLEYEMSA-N -1 0 371.393 2.578 50 10 FFCARM CN(C)c1ccc(C=C2C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)o1 ZINC000017058936 507112995 /nfs/dbraw/zinc/11/29/95/507112995.db2.gz UDFSBHUETNVHNA-LCYFTJDESA-N -1 0 359.769 2.870 50 10 FFCARM Cc1cc(C(=O)N2CCc3[nH]cnc3[C@@H]2C(=O)[O-])c(C)n1-c1ccccc1 ZINC000096151717 508208846 /nfs/dbraw/zinc/20/88/46/508208846.db2.gz WUIMCZBQGBVZTC-GOSISDBHSA-N -1 0 364.405 2.641 50 10 FFCARM Cc1[n-]n(-c2ccccc2)c(=O)c1Sc1nnnn1-c1ccccc1 ZINC000100524065 508239586 /nfs/dbraw/zinc/23/95/86/508239586.db2.gz WLJHNHDMNZRFIM-OAHLLOKOSA-N -1 0 350.407 2.546 50 10 FFCARM Cc1cccc(N2C(=O)[N-]C(=O)C(=CNCCC3=CCCCC3)C2=O)c1 ZINC000006886680 977651603 /nfs/dbraw/zinc/65/16/03/977651603.db2.gz JZYIGBZKKRSIIZ-LGMDPLHJSA-N -1 0 353.422 2.942 50 10 FFCARM CCOc1ccc(/C=C2/C(=O)[N-]C(=O)N(C3CCCCC3)C2=O)cc1OC ZINC000015836572 1021986876 /nfs/dbraw/zinc/98/68/76/1021986876.db2.gz GZSZNUKWEVJREK-PTNGSMBKSA-N -1 0 372.421 2.888 50 10 FFCARM O=C1[N-]C(=O)C(=Cc2cccc(OCc3ccc(Cl)cc3)c2)C(=O)N1 ZINC000001187231 219386115 /nfs/dbraw/zinc/38/61/15/219386115.db2.gz PPXYQVCFUQGITP-UHFFFAOYSA-N -1 0 356.765 2.668 50 10 FFCARM Cc1cc(C=C2C(=O)[N-]C(=O)NC2=O)c(C)n1-c1ccc(C)c([N+](=O)[O-])c1 ZINC000001161801 203990806 /nfs/dbraw/zinc/99/08/06/203990806.db2.gz XUZFLFIHMOQHIT-UHFFFAOYSA-N -1 0 368.349 2.900 50 10 FFCARM Cc1ccc(/C=C2/SC(=S)N(CCC(=O)[O-])C2=O)cc1[N+](=O)[O-] ZINC000002830063 204060492 /nfs/dbraw/zinc/06/04/92/204060492.db2.gz KPLNQDQBUVMVDS-YRNVUSSQSA-N -1 0 352.393 2.579 50 10 FFCARM CCOc1cccc(N2C(=O)/C(=C\c3cccs3)C(=O)[N-]C2=S)c1 ZINC000004471559 204139490 /nfs/dbraw/zinc/13/94/90/204139490.db2.gz DSYQSWFYAQGDAR-UVTDQMKNSA-N -1 0 358.444 2.978 50 10 FFCARM O=C([O-])[C@H](Cc1cc2ccccc2[nH]1)N1C(=O)[C@@H]2CC=C(Cl)C[C@@H]2C1=O ZINC000100616457 206223614 /nfs/dbraw/zinc/22/36/14/206223614.db2.gz RPCJBPJVTPVNQM-YCPHGPKFSA-N -1 0 372.808 2.681 50 10 FFCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=CNCc3ccc(F)cc3)C2=O)cc1C ZINC000101075856 132233498 /nfs/dbraw/zinc/23/34/98/132233498.db2.gz WUOAKEBALBZYHL-GZTJUZNOSA-N -1 0 367.380 2.699 50 10 FFCARM Cc1ccc(N2C(=O)/C(=C/c3ccc(N(C)C)cc3)C(=O)[N-]C2=S)cc1 ZINC000001195350 132252317 /nfs/dbraw/zinc/25/23/17/132252317.db2.gz JWYASFJYEAXERS-SFQUDFHCSA-N -1 0 365.458 2.892 50 10 FFCARM CC(C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(O)c(O)c3)C2=O)cc1 ZINC000001203128 132252391 /nfs/dbraw/zinc/25/23/91/132252391.db2.gz JBPOPKNABCCBIB-OQLLNIDSSA-N -1 0 366.373 2.888 50 10 FFCARM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(N2CCCC2)o1 ZINC000001180479 132380607 /nfs/dbraw/zinc/38/06/07/132380607.db2.gz NCUTXPFCZWXANS-RVDMUPIBSA-N -1 0 369.352 2.685 50 10 FFCARM COc1ccc(/C=C2\SC(=S)N(CCCC(=O)[O-])C2=O)cc1OC ZINC000012504556 506870719 /nfs/dbraw/zinc/87/07/19/506870719.db2.gz IJWKSBPTJQMUHJ-LCYFTJDESA-N -1 0 367.448 2.770 50 10 FFCARM CCOc1cc(/C=C2\SC(=S)N(CCCC(=O)[O-])C2=O)ccc1O ZINC000013343540 506939537 /nfs/dbraw/zinc/93/95/37/506939537.db2.gz UTSVWIRGDCHBKN-LCYFTJDESA-N -1 0 367.448 2.857 50 10 FFCARM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(C)o3)C2=O)cc1Cl ZINC000013553147 506944875 /nfs/dbraw/zinc/94/48/75/506944875.db2.gz LBYUCIIFFSUIFY-XYOKQWHBSA-N -1 0 360.753 2.916 50 10 FFCARM COc1cccc(N2C(=O)[N-]C(=O)C(=Cc3c[nH]c4ccccc34)C2=O)c1 ZINC000019797740 526140830 /nfs/dbraw/zinc/14/08/30/526140830.db2.gz PUYXGTCPUGQDOM-SXGWCWSVSA-N -1 0 361.357 2.843 50 10 biogenic FFCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=CNc3cc(Cl)ccc3O)C2=O)cc1 ZINC000102879903 570840985 /nfs/dbraw/zinc/84/09/85/570840985.db2.gz HQUWIZPWGHUCIK-UKTHLTGXSA-N -1 0 371.780 2.933 50 10 FFCARM O=C1[N-]C(=O)N(C2CCCCCC2)C(=O)C1=CNCc1ccc(F)cc1 ZINC000006506063 204251315 /nfs/dbraw/zinc/25/13/15/204251315.db2.gz JLUWCELTJZPRBB-FOWTUZBSSA-N -1 0 359.401 2.600 50 10 FFCARM COc1ccc(/C=C2\C(=O)[N-]N(c3ccc(Cl)cc3)C2=O)cc1[N+](=O)[O-] ZINC000059475165 221126647 /nfs/dbraw/zinc/12/66/47/221126647.db2.gz IIWOOCBXTNFPDQ-MDWZMJQESA-N -1 0 373.752 2.718 50 10 FFCARM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC)cc3C)C2=O)cc1 ZINC000001208285 132381101 /nfs/dbraw/zinc/38/11/01/132381101.db2.gz MJPJJCXOVWYSKM-GZTJUZNOSA-N -1 0 366.373 2.679 50 10 FFCARM COc1cccc(/C=C2\SC(=S)N(CCCC(=O)[O-])C2=O)c1OC ZINC000013343519 506939741 /nfs/dbraw/zinc/93/97/41/506939741.db2.gz PTTVGWGQFZWUSK-XFXZXTDPSA-N -1 0 367.448 2.770 50 10 FFCARM CSc1ncc(/C=C2/C(=O)[N-]C(=O)N(CCC3=CCCCC3)C2=O)cn1 ZINC000015856663 507063510 /nfs/dbraw/zinc/06/35/10/507063510.db2.gz PUCHNBHAFDAMFE-ZROIWOOFSA-N -1 0 372.450 2.551 50 10 FFCARM Cc1cc(C=C2C(=O)[N-]C(=O)NC2=O)c(C)n1-c1ccc2ccccc2c1 ZINC000002810733 204060184 /nfs/dbraw/zinc/06/01/84/204060184.db2.gz ZFVGZPBLCNUXIZ-UHFFFAOYSA-N -1 0 359.385 2.997 50 10 FFCARM CCc1cccc(C)c1-n1c(C)cc(C=C2C(=O)[N-]C(=O)NC2=O)c1C ZINC000004677091 204153742 /nfs/dbraw/zinc/15/37/42/204153742.db2.gz XNUFDVBQUQJMOH-UHFFFAOYSA-N -1 0 351.406 2.714 50 10 FFCARM Cc1cc(C=C2C(=O)[N-]C(=O)NC2=O)c(C)n1-c1cccc(Cl)c1C ZINC000004704226 204156988 /nfs/dbraw/zinc/15/69/88/204156988.db2.gz XUMNBRNZQHVXBT-UHFFFAOYSA-N -1 0 357.797 2.805 50 10 FFCARM COc1cc(/C=C2/C(=O)[N-]N(c3ccc(C)c(Cl)c3)C2=O)ccc1O ZINC000005173467 204195513 /nfs/dbraw/zinc/19/55/13/204195513.db2.gz NCTMVRUMLODDCE-QPEQYQDCSA-N -1 0 358.781 2.824 50 10 FFCARM O=C([O-])COc1ccccc1/C=C1\SC(=S)N(c2cccnc2)C1=O ZINC000009444684 204367850 /nfs/dbraw/zinc/36/78/50/204367850.db2.gz MCHZWTRWIBITMF-ZSOIEALJSA-N -1 0 372.427 2.951 50 10 FFCARM COc1cc(Cl)c(/C=C2\SC(=S)N(CC(=O)[O-])C2=O)c(OC)c1 ZINC000016101948 204631193 /nfs/dbraw/zinc/63/11/93/204631193.db2.gz PTDMYSULLAKEBC-WZUFQYTHSA-N -1 0 373.839 2.643 50 10 FFCARM COc1ccc(OC)c(/C=C2/SC(=S)N(CCCC(=O)[O-])C2=O)c1 ZINC000002237795 206154754 /nfs/dbraw/zinc/15/47/54/206154754.db2.gz ZIBSKCVAJHCBBI-UKTHLTGXSA-N -1 0 367.448 2.770 50 10 FFCARM Cc1cc([N+](=O)[O-])cc([C@@H]2[NH2+][C@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)c1[O-] ZINC000012659850 206294208 /nfs/dbraw/zinc/29/42/08/206294208.db2.gz CTIPGICZGLESJX-RDJZCZTQSA-N -1 0 367.361 2.778 50 10 biogenic FFCARM Cn1cccc1/C=C1\SC(=S)N([C@@H](Cc2ccccc2)C(=O)[O-])C1=O ZINC000013776894 206306562 /nfs/dbraw/zinc/30/65/62/206306562.db2.gz KJCWFFVOKRNCEF-XFNCEPBJSA-N -1 0 372.471 2.922 50 10 FFCARM COc1ccccc1NC=C1C(=O)[N-]C(=O)N(c2cccc(Cl)c2)C1=O ZINC000002892919 132384342 /nfs/dbraw/zinc/38/43/42/132384342.db2.gz QIJIMNAGHMDXTR-JLHYYAGUSA-N -1 0 371.780 2.927 50 10 FFCARM N=C1/C(=C\c2ccc(-c3cccc(C(=O)[O-])c3)o2)C(=O)N=C2SC=NN21 ZINC000020158758 263378800 /nfs/dbraw/zinc/37/88/00/263378800.db2.gz GASFUAMXCPRLON-NFFPZGGSSA-N -1 0 366.358 2.894 50 10 FFCARM CSc1ccccc1N=Nc1c(=O)[nH][n-]c1C1CCN(C(C)=O)CC1 ZINC000100238916 508239083 /nfs/dbraw/zinc/23/90/83/508239083.db2.gz BUCGYWVFAPDJSR-IGGDJGDASA-N -1 0 359.455 2.605 50 10 FFCARM O=C1[N-]C(=O)N(Cc2ccc(F)cc2)C(=O)C1=CNCCC1=CCCCC1 ZINC000101364392 508241407 /nfs/dbraw/zinc/24/14/07/508241407.db2.gz YFPRTQKFRFOYDT-SFQUDFHCSA-N -1 0 371.412 2.768 50 10 FFCARM COc1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc1 ZINC000102055745 536655555 /nfs/dbraw/zinc/65/55/55/536655555.db2.gz DYTGSRRZQLFOAQ-LFIBNONCSA-N -1 0 351.362 2.582 50 10 FFCARM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)C1=CNc1cccc(O)c1 ZINC000002837432 727774581 /nfs/dbraw/zinc/77/45/81/727774581.db2.gz PSYSCVNDSMOHOI-ZROIWOOFSA-N -1 0 357.753 2.624 50 10 FFCARM CCOC(=O)c1c(C)n[nH]c1N=Nc1c(C)[n-]n(-c2ccccc2)c1=O ZINC000008426450 207233297 /nfs/dbraw/zinc/23/32/97/207233297.db2.gz XRKZDEOLFAYVRH-WDWGUKLMSA-N -1 0 354.370 2.770 50 10 FFCARM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)C1=CNc1ccc(O)cc1 ZINC000004797353 132824681 /nfs/dbraw/zinc/82/46/81/132824681.db2.gz NTDLLYZVILGMDS-ZROIWOOFSA-N -1 0 357.753 2.624 50 10 FFCARM CCOc1ccc(N2C(=O)/C(=C\c3cccs3)C(=O)[N-]C2=S)cc1 ZINC000004723856 506390540 /nfs/dbraw/zinc/39/05/40/506390540.db2.gz GINUOIYBXJCKOP-UVTDQMKNSA-N -1 0 358.444 2.978 50 10 FFCARM COc1ccccc1NC=C1C(=O)[N-]C(=O)N(c2ccc(C)cc2)C1=O ZINC000015218787 507025246 /nfs/dbraw/zinc/02/52/46/507025246.db2.gz ZSJNXTFBIDGTCO-SDNWHVSQSA-N -1 0 351.362 2.582 50 10 FFCARM COc1ccc(OC)c(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)c1 ZINC000015856911 507063128 /nfs/dbraw/zinc/06/31/28/507063128.db2.gz ILWFAGQJQUWENB-RAXLEYEMSA-N -1 0 370.336 2.509 50 10 FFCARM C[C@@H](Oc1cccc(/C=C2\SC(N3CCCCC3)=NC2=O)c1)C(=O)[O-] ZINC000069621348 507525186 /nfs/dbraw/zinc/52/51/86/507525186.db2.gz HXSVHMKBHADUMG-QJMZJAKPSA-N -1 0 360.435 2.995 50 10 FFCARM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc1C ZINC000001214325 536596903 /nfs/dbraw/zinc/59/69/03/536596903.db2.gz MKMDDHUNZXKJQT-LFIBNONCSA-N -1 0 350.374 2.978 50 10 FFCARM COc1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1Cl ZINC000002843555 536654943 /nfs/dbraw/zinc/65/49/43/536654943.db2.gz XIHFRXVSFKXMIW-RAXLEYEMSA-N -1 0 371.780 2.927 50 10 FFCARM O=C([O-])[C@H](Cc1cc2ccccc2[nH]1)N1C(=O)[C@@H]2CC(Cl)=CC[C@@H]2C1=O ZINC000104288260 209499714 /nfs/dbraw/zinc/49/97/14/209499714.db2.gz RPCJBPJVTPVNQM-LZWOXQAQSA-N -1 0 372.808 2.681 50 10 FFCARM CCC[C@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S ZINC000005899954 207122301 /nfs/dbraw/zinc/12/23/01/207122301.db2.gz MGQXIIBLTNLNMI-SRMXYGTFSA-N -1 0 365.432 2.870 50 10 FFCARM CC(C)[C@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)SC1=S ZINC000006833176 207171079 /nfs/dbraw/zinc/17/10/79/207171079.db2.gz BFPBXCKFHXGRIN-YTRUQHMWSA-N -1 0 366.420 2.905 50 10 FFCARM CCOc1ccccc1N1C(=O)[N-]C(=O)C(=CC=Cc2ccco2)C1=O ZINC000001168234 132252380 /nfs/dbraw/zinc/25/23/80/132252380.db2.gz KRZIFWYMAKKJLC-WYMAPRSLSA-N -1 0 352.346 2.901 50 10 FFCARM Cc1ccccc1Cn1cc(C=C2C(=O)[N-]C(=O)NC2=O)c2ccccc21 ZINC000001168805 506251978 /nfs/dbraw/zinc/25/19/78/506251978.db2.gz RZEPYHWKMLAVQP-UHFFFAOYSA-N -1 0 359.385 2.747 50 10 FFCARM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc2c(c1)OCO2 ZINC000004576824 506383235 /nfs/dbraw/zinc/38/32/35/506383235.db2.gz NCZDMWSFPHRCQS-QPEQYQDCSA-N -1 0 370.748 2.735 50 10 FFCARM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OC)C2=O)cc1 ZINC000004692952 506388908 /nfs/dbraw/zinc/38/89/08/506388908.db2.gz PZDMJPZVARSEFD-VBKFSLOCSA-N -1 0 366.373 2.760 50 10 FFCARM COc1cccc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)c1O ZINC000004704548 506389291 /nfs/dbraw/zinc/38/92/91/506389291.db2.gz DIQTTXAHYVMYBX-XNTDXEJSSA-N -1 0 366.373 2.684 50 10 FFCARM CSCC[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2cccc(O)c2)SC1=S ZINC000004794980 506394757 /nfs/dbraw/zinc/39/47/57/506394757.db2.gz GUDOSHXDNHLWRU-SERMCNLOSA-N -1 0 369.489 2.800 50 10 FFCARM CC(C)[C@H](C(=O)[O-])N1C(=O)/C(=C/c2cccc3nccnc23)SC1=S ZINC000013734011 506955531 /nfs/dbraw/zinc/95/55/31/506955531.db2.gz XVYATKFXIWJFDR-ICDLMJIXSA-N -1 0 373.459 2.940 50 10 FFCARM COc1ccc(OC)c(N2C(=O)[N-]C(=O)C(=Cc3cccn3C)C2=O)c1 ZINC000016974294 507111088 /nfs/dbraw/zinc/11/10/88/507111088.db2.gz GXRVIJMLWNLCOF-LCYFTJDESA-N -1 0 355.350 2.549 50 10 FFCARM COc1cccc(/C=C2/C(=O)[N-]N(c3ccc(Br)cc3)C2=O)c1 ZINC000022135428 507281324 /nfs/dbraw/zinc/28/13/24/507281324.db2.gz ZWRDCWQFOJXTAI-GDNBJRDFSA-N -1 0 373.206 2.919 50 10 FFCARM COc1ccc(N2CCN(Cc3nc(=O)c4sccc4[n-]3)CC2)cc1 ZINC000025515868 507507136 /nfs/dbraw/zinc/50/71/36/507507136.db2.gz YILGNDNUSIMOOA-UHFFFAOYSA-N -1 0 356.451 2.728 50 10 FFCARM CCC[C@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(O)c(OC)c2)SC1=S ZINC000027229102 507640950 /nfs/dbraw/zinc/64/09/50/507640950.db2.gz JPXWFFXESCCWTD-SEEODLKFSA-N -1 0 367.448 2.855 50 10 FFCARM Cc1ccccc1NC=C1C(=O)[N-]C(=S)N(c2ccccc2F)C1=O ZINC000103844052 570852793 /nfs/dbraw/zinc/85/27/93/570852793.db2.gz FPFZZSRDRISQBR-ZRDIBKRKSA-N -1 0 355.394 2.878 50 10 FFCARM O=C([O-])[C@H](Cc1cc2ccccc2[nH]1)N1C(=O)[C@H]2CC=C(Cl)C[C@@H]2C1=O ZINC000020058157 1022553909 /nfs/dbraw/zinc/55/39/09/1022553909.db2.gz RPCJBPJVTPVNQM-DZKIICNBSA-N -1 0 372.808 2.681 50 10 FFCARM CC(=O)NC1=NC(=O)/C(=C/c2ccc(-c3ccc(C(=O)[O-])cc3)o2)S1 ZINC000005789467 207115744 /nfs/dbraw/zinc/11/57/44/207115744.db2.gz JGMVYZPHPPNLGF-ZSOIEALJSA-N -1 0 356.359 2.751 50 10 FFCARM O=C1[N-]C(=O)N(CCc2ccc(F)cc2)C(=O)C1=CNN1CCCCCC1 ZINC000006926319 207178596 /nfs/dbraw/zinc/17/85/96/207178596.db2.gz HGKNGDWCFNJPMM-SSZFMOIBSA-N -1 0 374.416 2.551 50 10 FFCARM Cc1cc(C=C2C(=O)[N-]C(=O)NC2=O)c(C)n1-c1ccc(N(C)C)cc1 ZINC000008914542 207251371 /nfs/dbraw/zinc/25/13/71/207251371.db2.gz KZHMVFVSNQRAQZ-UHFFFAOYSA-N -1 0 352.394 2.750 50 10 FFCARM CC1=NN(c2ccc(F)cc2)C(=O)C1=CNc1ccc(O)c(C(=O)[O-])c1 ZINC000075283018 208883655 /nfs/dbraw/zinc/88/36/55/208883655.db2.gz NNROEYFGOFDXOH-DHDCSXOGSA-N -1 0 355.325 2.948 50 10 FFCARM Nc1cccc(NC=C2C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c1 ZINC000002323348 132383165 /nfs/dbraw/zinc/38/31/65/132383165.db2.gz GNSVHPPEGPGUPU-NTEUORMPSA-N -1 0 356.769 2.501 50 10 FFCARM COc1ccc(/C=C2\C(=O)[N-]N(c3ccc(Br)cc3)C2=O)cc1 ZINC000000910353 506239055 /nfs/dbraw/zinc/23/90/55/506239055.db2.gz YUEJIACDPZBZLI-XNTDXEJSSA-N -1 0 373.206 2.919 50 10 FFCARM Cc1ccc(N2C(=O)/C(=C\c3ccc4c(c3)OCO4)C(=O)[N-]C2=S)cc1 ZINC000004743490 506391519 /nfs/dbraw/zinc/39/15/19/506391519.db2.gz GXDIUSGNDJIQMN-ZSOIEALJSA-N -1 0 366.398 2.555 50 10 FFCARM COc1ccccc1NC=C1C(=O)[N-]C(=O)N(c2ccccc2C)C1=O ZINC000005648590 506453561 /nfs/dbraw/zinc/45/35/61/506453561.db2.gz TZMOSBJULLISLZ-QBFSEMIESA-N -1 0 351.362 2.582 50 10 FFCARM CCOC(=O)C[C@@H](c1ccc(O)c(O)c1)c1c([O-])c2ccccc2[nH]c1=O ZINC000072326128 507775972 /nfs/dbraw/zinc/77/59/72/507775972.db2.gz ZBFKTWCGSXCFKP-ZDUSSCGKSA-N -1 0 369.373 2.730 50 10 biogenic FFCARM CCOC(=O)c1c(C)n[nH]c1N=Nc1c(C)[n-]n(-c2ccccc2)c1=O ZINC000252637292 509856409 /nfs/dbraw/zinc/85/64/09/509856409.db2.gz XRKZDEOLFAYVRH-AWEZNQCLSA-N -1 0 354.370 2.770 50 10 FFCARM Cc1[n-]n(C(N)=S)c(=O)c1N=Nc1ccc(C)c(Br)c1 ZINC000252461110 520887678 /nfs/dbraw/zinc/88/76/78/520887678.db2.gz KPCFIFMDHBMEAA-SNVBAGLBSA-N -1 0 354.233 2.672 50 10 FFCARM Cc1cc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)c(C)n1-c1cccnc1 ZINC000001152074 219382203 /nfs/dbraw/zinc/38/22/03/219382203.db2.gz GBGJGVRSPLZAKU-VGOFMYFVSA-N -1 0 373.459 2.775 50 10 FFCARM CCC[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(O)c(OC)c2)SC1=S ZINC000005478126 219682391 /nfs/dbraw/zinc/68/23/91/219682391.db2.gz JPXWFFXESCCWTD-AAIQCTMTSA-N -1 0 367.448 2.855 50 10 FFCARM Cc1cc(/C=C2\SC(=S)N(CCC(=O)[O-])C2=O)cc2c1O[C@@H](C)C2 ZINC000012062570 219950912 /nfs/dbraw/zinc/95/09/12/219950912.db2.gz VFDKNKRFNAZAHT-AAIQCTMTSA-N -1 0 363.460 2.994 50 10 FFCARM COc1ccc(N=Nc2c(NC(C)=O)[n-]n(-c3ccccc3)c2=O)cc1 ZINC000097964029 209200877 /nfs/dbraw/zinc/20/08/77/209200877.db2.gz QLPZVLGFZOXYTO-BZROSYFNSA-N -1 0 351.366 2.644 50 10 FFCARM CN(C)c1ccc(/C=C2\SC(=S)N(CCCC(=O)[O-])C2=O)cc1 ZINC000001297891 206873838 /nfs/dbraw/zinc/87/38/38/206873838.db2.gz ADTNETPFOBLKCF-RAXLEYEMSA-N -1 0 350.465 2.819 50 10 FFCARM CCCOc1ccc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)cc1OC ZINC000001779687 206894799 /nfs/dbraw/zinc/89/47/99/206894799.db2.gz SZSBPBRZCSVZIK-MDWZMJQESA-N -1 0 367.448 2.770 50 10 FFCARM CSCC[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(O)cc2)SC1=S ZINC000001786460 206895528 /nfs/dbraw/zinc/89/55/28/206895528.db2.gz NQFYFJCESYRWQS-HQQGHWSLSA-N -1 0 369.489 2.800 50 10 FFCARM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc2c(c1)OCO2 ZINC000002512856 206919997 /nfs/dbraw/zinc/91/99/97/206919997.db2.gz UFVSLXWVQOYMNY-UHFFFAOYSA-N -1 0 356.743 2.778 50 10 FFCARM Nc1[n-]n2c(nc3c(c2=O)CCCC3)c1N=Nc1ccc2c(c1)OCO2 ZINC000004649603 207034635 /nfs/dbraw/zinc/03/46/35/207034635.db2.gz OPWYIFHKRZZDOC-QZQOTICOSA-N -1 0 352.354 2.628 50 10 FFCARM CC(C)[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)SC1=S ZINC000005381450 207097183 /nfs/dbraw/zinc/09/71/83/207097183.db2.gz HQCAXLOOJFXWST-VNKGSWCUSA-N -1 0 366.420 2.905 50 10 FFCARM COc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc4ccccc4[nH]3)C2=O)c1 ZINC000002074869 132382564 /nfs/dbraw/zinc/38/25/64/132382564.db2.gz FLRGNXMHYGMGRB-MHWRWJLKSA-N -1 0 361.357 2.843 50 10 FFCARM O=C1[N-]C(=O)C(=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C(=O)N1 ZINC000001196179 506253474 /nfs/dbraw/zinc/25/34/74/506253474.db2.gz WXPJUTARGLMYMA-UHFFFAOYSA-N -1 0 367.317 2.764 50 10 FFCARM O=C1[N-]C(=O)C(=Cc2cc(Cl)ccc2OCc2cccc(F)c2)C(=O)N1 ZINC000001175724 506254453 /nfs/dbraw/zinc/25/44/53/506254453.db2.gz UIHRVJDKMNGOBS-UHFFFAOYSA-N -1 0 374.755 2.808 50 10 FFCARM CC[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2cc(OC)ccc2OC)SC1=S ZINC000001831074 506269100 /nfs/dbraw/zinc/26/91/00/506269100.db2.gz FLFCFEDTFZSJEA-LFTLCWSBSA-N -1 0 367.448 2.768 50 10 FFCARM COc1ccc(OC)c(N2C(=O)C(=Cc3ccco3)C(=O)[N-]C2=S)c1 ZINC000006858447 506512014 /nfs/dbraw/zinc/51/20/14/506512014.db2.gz DYOKRGAYEGWMIS-WQLSENKSSA-N -1 0 358.375 2.539 50 10 FFCARM O=C1[N-]N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C1\C(=O)Nc2ccccc21 ZINC000022033288 727836605 /nfs/dbraw/zinc/83/66/05/727836605.db2.gz GXLPGRODFFIHLP-YPKPFQOOSA-N -1 0 374.183 2.777 50 10 FFCARM CC1=NN(c2ccc3nncn3n2)C(=O)C1=CNc1ccc(F)c(Cl)c1 ZINC000101651473 209227547 /nfs/dbraw/zinc/22/75/47/209227547.db2.gz WHLNHPUQHYLIPF-YRNVUSSQSA-N -1 0 371.763 2.635 50 10 FFCARM CC(=O)Nc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccccc1N(C)C ZINC000097963968 209200312 /nfs/dbraw/zinc/20/03/12/209200312.db2.gz NLQLEIMLLLXQDK-SIUCFOQUSA-N -1 0 364.409 2.701 50 10 FFCARM CC[C@H](C)[C@@H]([NH2+]Cc1c([O-])ccc2c3c(c(=O)oc21)CCCC3)C(=O)[O-] ZINC000011866850 207328421 /nfs/dbraw/zinc/32/84/21/207328421.db2.gz UYFNOTJIQGIEIF-APPDUMDISA-N -1 0 359.422 2.966 50 10 FFCARM COc1ccc(N2C(=O)[N-]C(=O)C(=CNc3ccccc3C)C2=O)cc1 ZINC000100401283 132232866 /nfs/dbraw/zinc/23/28/66/132232866.db2.gz FYKILZBPKZOSSY-PTNGSMBKSA-N -1 0 351.362 2.582 50 10 FFCARM COc1ccc(OC)c(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)c1 ZINC000001066955 132379858 /nfs/dbraw/zinc/37/98/58/132379858.db2.gz ZMGYDUYQWSKLHP-RVDMUPIBSA-N -1 0 366.373 2.679 50 10 FFCARM O=C([O-])CCN1C(=O)/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)SC1=S ZINC000001771532 506269132 /nfs/dbraw/zinc/26/91/32/506269132.db2.gz ISFMWGVYKQJBLY-UXBLZVDNSA-N -1 0 372.811 2.924 50 10 FFCARM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(O)c(OC)c3)C2=O)cc1 ZINC000009044305 506679486 /nfs/dbraw/zinc/67/94/86/506679486.db2.gz FEJWJIBSRLSJBZ-ZROIWOOFSA-N -1 0 368.345 2.916 50 10 FFCARM CC(C)[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc3nccnc3c2)SC1=S ZINC000013690616 506951761 /nfs/dbraw/zinc/95/17/61/506951761.db2.gz GKUSJNWWGKUETN-CZAWJFPGSA-N -1 0 373.459 2.940 50 10 FFCARM CCc1cc2c(C)cc(=O)oc2c(CN(C)CC(=O)NC(C)(C)C)c1[O-] ZINC000014136799 506970012 /nfs/dbraw/zinc/97/00/12/506970012.db2.gz GGLWIYJWGCOVQV-UHFFFAOYSA-N -1 0 360.454 2.716 50 10 FFCARM C[C@@H]([NH2+]Cc1c([O-])ccc2c(=O)c(Oc3ccccc3)coc21)C(=O)[O-] ZINC000025076726 507463724 /nfs/dbraw/zinc/46/37/24/507463724.db2.gz NTFZCLCPHOBFSK-LLVKDONJSA-N -1 0 355.346 2.854 50 10 FFCARM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC)c(O)c3)C2=O)cc1 ZINC000096594175 508215426 /nfs/dbraw/zinc/21/54/26/508215426.db2.gz SNGKOZQJKXQVDL-ZROIWOOFSA-N -1 0 368.345 2.916 50 10 FFCARM CC1=NN(c2ccccc2)C(=O)/C1=C/c1c[n-]n2c1nc1ccccc1c2=O ZINC000100946439 508240460 /nfs/dbraw/zinc/24/04/60/508240460.db2.gz ZFERULHDIFDHBI-GZTJUZNOSA-N -1 0 369.384 2.982 50 10 FFCARM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)ccc1O ZINC000001225753 535659400 /nfs/dbraw/zinc/65/94/00/535659400.db2.gz IXDIMCCXKQJTBD-GXDHUFHOSA-N -1 0 366.373 2.766 50 10 FFCARM COc1ccccc1/C=C1\C(=O)[N-]C(=S)N(c2ccccc2F)C1=O ZINC000000986684 536982138 /nfs/dbraw/zinc/98/21/38/536982138.db2.gz XRGHUXQRMXSQAO-ZRDIBKRKSA-N -1 0 356.378 2.666 50 10 FFCARM O=C1[N-]C(=S)N(c2ccc(F)cc2)C(=O)C1=CNc1ccccc1F ZINC000016662480 727826649 /nfs/dbraw/zinc/82/66/49/727826649.db2.gz PAHNFAKXYNGJSV-XFXZXTDPSA-N -1 0 359.357 2.709 50 10 FFCARM CSCC[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2cccc(O)c2)SC1=S ZINC000001786464 206896679 /nfs/dbraw/zinc/89/66/79/206896679.db2.gz GUDOSHXDNHLWRU-LCFDYFRESA-N -1 0 369.489 2.800 50 10 FFCARM CC[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(C(=O)OC)cc2)SC1=S ZINC000008325772 207229004 /nfs/dbraw/zinc/22/90/04/207229004.db2.gz IPBPYGAUIUXUGK-SERMCNLOSA-N -1 0 365.432 2.538 50 10 FFCARM O=C1[N-]C(=O)N(c2ccccc2F)C(=O)/C1=C/c1ccc(N2CCCC2)o1 ZINC000000875989 132252016 /nfs/dbraw/zinc/25/20/16/132252016.db2.gz ISRLAJVEBDEGBE-ACCUITESSA-N -1 0 369.352 2.685 50 10 FFCARM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)ccc1O ZINC000001233296 132381338 /nfs/dbraw/zinc/38/13/38/132381338.db2.gz NKACYUJRPBJWPM-MDWZMJQESA-N -1 0 372.764 2.721 50 10 FFCARM COc1ccc(OC)c(N2C(=O)C(=Cc3ccco3)C(=O)[N-]C2=S)c1 ZINC000001288438 132381568 /nfs/dbraw/zinc/38/15/68/132381568.db2.gz DYOKRGAYEGWMIS-XYOKQWHBSA-N -1 0 358.375 2.968 50 10 FFCARM O=C1[N-]C(=O)N(c2ccccc2F)C(=O)/C1=C/c1ccc(O)c(Cl)c1 ZINC000002959561 132384421 /nfs/dbraw/zinc/38/44/21/132384421.db2.gz CPLDTDOMEREJKC-JXMROGBWSA-N -1 0 360.728 2.851 50 10 FFCARM CC(C)[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)SC1=S ZINC000002381745 506277709 /nfs/dbraw/zinc/27/77/09/506277709.db2.gz BFPBXCKFHXGRIN-SEVUFMINSA-N -1 0 366.420 2.905 50 10 FFCARM COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C\c1ccc(C(=O)[O-])cc1 ZINC000002648272 506286628 /nfs/dbraw/zinc/28/66/28/506286628.db2.gz FNFKPRUOPAVSKA-YBEGLDIGSA-N -1 0 367.357 2.851 50 10 FFCARM O=C([O-])CN1C(=O)/C(=C\c2cc([N+](=O)[O-])ccc2Cl)SC1=S ZINC000002897439 506300147 /nfs/dbraw/zinc/30/01/47/506300147.db2.gz BWPWULDRWQFRMW-RUDMXATFSA-N -1 0 358.784 2.534 50 10 FFCARM O=C([O-])CCCN1C(=O)/C(=C/c2ccc3c(c2)OCCO3)SC1=S ZINC000033542929 506359559 /nfs/dbraw/zinc/35/95/59/506359559.db2.gz VPQMKGZIPJDHGW-LCYFTJDESA-N -1 0 365.432 2.524 50 10 FFCARM CCCCCCN1C(=O)[N-]C(=O)C(=CNc2ccc(NC(C)=O)cc2)C1=O ZINC000006782986 506506651 /nfs/dbraw/zinc/50/66/51/506506651.db2.gz PXSDBWCSOBGWIR-VBKFSLOCSA-N -1 0 372.425 2.600 50 10 FFCARM COc1cc(C=C2C(=O)[N-]C(=O)N(Cc3ccccc3)C2=O)ccc1O ZINC000008994658 506678119 /nfs/dbraw/zinc/67/81/19/506678119.db2.gz IJYFYKVAPMOBTG-ZROIWOOFSA-N -1 0 352.346 2.903 50 10 FFCARM Cc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)c(C)n1C ZINC000015012845 507011744 /nfs/dbraw/zinc/01/17/44/507011744.db2.gz IFFZJMGANHBOFE-DHDCSXOGSA-N -1 0 357.410 2.612 50 10 FFCARM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(O)c(OC)c3)C2=O)cc1 ZINC000005034426 536184206 /nfs/dbraw/zinc/18/42/06/536184206.db2.gz XHTYXDUIHCSFBV-GDNBJRDFSA-N -1 0 366.373 2.630 50 10 FFCARM CC1=C(C(=O)Oc2ccccc2)[C@H](c2cc([N+](=O)[O-])ccc2[O-])NC(=O)N1 ZINC000022018066 960895490 /nfs/dbraw/zinc/89/54/90/960895490.db2.gz DXMIOKHPKNUKEP-INIZCTEOSA-N -1 0 369.333 2.534 50 10 FFCARM O=C1[N-]N(c2ccc(F)c(Cl)c2)C(=O)/C1=C\c1ccc2c(c1)OCO2 ZINC000001218910 209385606 /nfs/dbraw/zinc/38/56/06/209385606.db2.gz DANYWFZKJMPHKM-WZUFQYTHSA-N -1 0 360.728 2.669 50 10 FFCARM COc1cccc2ccc(/C=C3\SC(=S)N(CCC(=O)[O-])C3=O)nc21 ZINC000006661033 207152446 /nfs/dbraw/zinc/15/24/46/207152446.db2.gz IRBIBPRULXJNCE-LCYFTJDESA-N -1 0 374.443 2.919 50 10 FFCARM COc1cc(/C=C2/C(=O)[N-]N(c3ccc(Cl)cc3)C2=O)cc(OC)c1O ZINC000012418363 207373391 /nfs/dbraw/zinc/37/33/91/207373391.db2.gz XNVQAICAHZDMGD-QPEQYQDCSA-N -1 0 374.780 2.524 50 10 FFCARM COC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1ccc(C)c(Cl)c1 ZINC000095997435 209094511 /nfs/dbraw/zinc/09/45/11/209094511.db2.gz JVICGGBTNWPLRN-UHFFFAOYSA-N -1 0 355.799 2.941 50 10 FFCARM COc1ccccc1NC=C1C(=O)[N-]C(=O)N(c2ccc(C)cc2)C1=O ZINC000100401455 132232746 /nfs/dbraw/zinc/23/27/46/132232746.db2.gz ZSJNXTFBIDGTCO-KAMYIIQDSA-N -1 0 351.362 2.582 50 10 FFCARM Cc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(C)cc3)C2=O)c(C)n1C ZINC000004470333 132254758 /nfs/dbraw/zinc/25/47/58/132254758.db2.gz UFPVYIUHTBRFCY-YBEGLDIGSA-N -1 0 353.447 2.782 50 10 FFCARM COc1ccccc1NC=C1C(=O)[N-]C(=O)N(c2cccc(C)c2)C1=O ZINC000008625965 132260005 /nfs/dbraw/zinc/26/00/05/132260005.db2.gz HFDNBYWASCXSPQ-SDNWHVSQSA-N -1 0 351.362 2.582 50 10 FFCARM CSCC[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(O)cc2)SC1=S ZINC000001786457 506268968 /nfs/dbraw/zinc/26/89/68/506268968.db2.gz NQFYFJCESYRWQS-LCFDYFRESA-N -1 0 369.489 2.800 50 10 FFCARM COCCn1c(C)cc(C=C2C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)c1C ZINC000002313388 506276300 /nfs/dbraw/zinc/27/63/00/506276300.db2.gz NFBGVSSPSPZRLC-MHWRWJLKSA-N -1 0 371.393 2.847 50 10 FFCARM C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2C=C2C(=O)[N-]C(=O)NC2=O)[C@H](C)C1 ZINC000004181707 506364599 /nfs/dbraw/zinc/36/45/99/506364599.db2.gz VHLWLNSUOHUUMG-GHMZBOCLSA-N -1 0 372.381 2.809 50 10 FFCARM CC(C)c1ccc(/C=C2\SC(=S)N(CCS(=O)(=O)[O-])C2=O)cc1 ZINC000004291559 506369895 /nfs/dbraw/zinc/36/98/95/506369895.db2.gz PUGZIOMTHQYEIX-LCYFTJDESA-N -1 0 371.505 2.899 50 10 FFCARM COc1ccccc1/C=C1\C(=O)[N-]C(=S)N(c2cccc(F)c2)C1=O ZINC000004723770 506389873 /nfs/dbraw/zinc/38/98/73/506389873.db2.gz VTGVKZFIIPYJFT-NTEUORMPSA-N -1 0 356.378 2.666 50 10 FFCARM O=C1[N-]C(=O)N(Cc2ccc(F)cc2)C(=O)C1=Cc1ccc([N+](=O)[O-])o1 ZINC000008996027 506678198 /nfs/dbraw/zinc/67/81/98/506678198.db2.gz NNADYMOQYRQMAC-KPKJPENVSA-N -1 0 359.269 2.829 50 10 FFCARM CCN1CCCc2cc(/C=C3\SC(=S)N(CC(=O)[O-])C3=O)ccc21 ZINC000011615986 506783071 /nfs/dbraw/zinc/78/30/71/506783071.db2.gz DRJWKUUNLXEVSO-ZROIWOOFSA-N -1 0 362.476 2.745 50 10 FFCARM CC(=O)n1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3)C2=O)c2ccccc21 ZINC000012364774 506855218 /nfs/dbraw/zinc/85/52/18/506855218.db2.gz UPVIDIQYFZKUNL-BOPFTXTBSA-N -1 0 373.368 2.968 50 10 biogenic FFCARM COc1ccc(OC)c(/C=C2\SC(=S)N(CCCC(=O)[O-])C2=O)c1 ZINC000013800176 506957880 /nfs/dbraw/zinc/95/78/80/506957880.db2.gz ZIBSKCVAJHCBBI-LCYFTJDESA-N -1 0 367.448 2.770 50 10 FFCARM Cc1c(C)c2ccc([O-])c(C[NH2+][C@H](Cc3ccccc3)C(=O)[O-])c2oc1=O ZINC000002115249 209392998 /nfs/dbraw/zinc/39/29/98/209392998.db2.gz LNQHLDWJEICHGF-QGZVFWFLSA-N -1 0 367.401 2.901 50 10 biogenic FFCARM O=C1[N-]C(=O)C(=Cc2cn(Cc3ccc(F)cc3)c3ccccc23)C(=O)N1 ZINC000004663551 207035005 /nfs/dbraw/zinc/03/50/05/207035005.db2.gz LVVAYRLVABQCAI-UHFFFAOYSA-N -1 0 363.348 2.578 50 10 FFCARM COc1cc(/C=C2\C(=O)N(c3ccc(C(=O)[O-])cc3)N=C2C)ccc1O ZINC000005046909 207074713 /nfs/dbraw/zinc/07/47/13/207074713.db2.gz LAOMUROVLHEIPF-DHDCSXOGSA-N -1 0 352.346 2.905 50 10 biogenic FFCARM Cc1ccc(S(=O)(=O)[N-]c2sc3c(c2C(N)=O)CCC3)c(C)c1 ZINC000006800751 207165628 /nfs/dbraw/zinc/16/56/28/207165628.db2.gz TYLKLODHVGHEQB-UHFFFAOYSA-N -1 0 350.465 2.753 50 10 FFCARM CC(C)[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2ccccc2[N+](=O)[O-])SC1=S ZINC000006833154 207171030 /nfs/dbraw/zinc/17/10/30/207171030.db2.gz YMNOJXWETGGYMP-VNKGSWCUSA-N -1 0 366.420 2.905 50 10 FFCARM O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C/c1ccc(Br)o1 ZINC000001200607 132380950 /nfs/dbraw/zinc/38/09/50/132380950.db2.gz YZWWFVUKFLWWDL-DHZHZOJOSA-N -1 0 361.151 2.709 50 10 FFCARM CCN(CC)c1ccc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)cc1 ZINC000000967113 506242660 /nfs/dbraw/zinc/24/26/60/506242660.db2.gz ROXVSAIZMAXPIL-UKTHLTGXSA-N -1 0 350.465 2.819 50 10 FFCARM Cc1ccc(-n2nnnc2SCC(=O)c2ccc(O)c(O)c2)cc1C ZINC000001440508 506261639 /nfs/dbraw/zinc/26/16/39/506261639.db2.gz ZGBHFTNWGLCSAN-UHFFFAOYSA-N -1 0 356.407 2.665 50 10 FFCARM O=C1[N-]C(=O)C(=Cc2cccc(OCCOc3ccccc3)c2)C(=O)N1 ZINC000002997139 506305714 /nfs/dbraw/zinc/30/57/14/506305714.db2.gz YPFCMUIWRNDYLL-UHFFFAOYSA-N -1 0 352.346 2.734 50 10 FFCARM CCOC(=O)c1ccc([N-]S(=O)(=O)c2cccc3nsnc32)cc1 ZINC000003620117 506348516 /nfs/dbraw/zinc/34/85/16/506348516.db2.gz HLJXDBHZGPKDEP-UHFFFAOYSA-N -1 0 363.420 2.669 50 10 FFCARM Cn1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)c2ccccc21 ZINC000004703215 506390546 /nfs/dbraw/zinc/39/05/46/506390546.db2.gz KWRFGOCWPYFEMH-CXUHLZMHSA-N -1 0 363.348 2.984 50 10 FFCARM O=C([O-])CN1C(=O)/C(=C\c2ccc(Br)s2)SC1=S ZINC000006210126 506471622 /nfs/dbraw/zinc/47/16/22/506471622.db2.gz XQVZRDORJGVRDZ-ZZXKWVIFSA-N -1 0 364.267 2.796 50 10 FFCARM COc1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc1 ZINC000006858100 506512220 /nfs/dbraw/zinc/51/22/20/506512220.db2.gz DYTGSRRZQLFOAQ-WJDWOHSUSA-N -1 0 351.362 2.582 50 10 FFCARM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)C1=CNc1ccccc1O ZINC000008380029 506647310 /nfs/dbraw/zinc/64/73/10/506647310.db2.gz HWALCFNSDQLWLV-XFXZXTDPSA-N -1 0 357.753 2.624 50 10 FFCARM COc1ccccc1N1C(=O)[N-]C(=O)C(=CNc2ccccc2Cl)C1=O ZINC000017086494 507116216 /nfs/dbraw/zinc/11/62/16/507116216.db2.gz DVLWXSZTFFYVKL-KHPPLWFESA-N -1 0 371.780 2.927 50 10 FFCARM O=C1[N-]C(=O)C(=Cc2cccn2-c2cc([N+](=O)[O-])ccc2Cl)C(=O)N1 ZINC000020210146 507215731 /nfs/dbraw/zinc/21/57/31/507215731.db2.gz AYGMFCVZOCPMTC-UHFFFAOYSA-N -1 0 360.713 2.629 50 10 FFCARM COc1cccc(/C=C2\C(=O)N(c3ccc(C(=O)[O-])cc3)N=C2C)c1O ZINC000058059921 507368479 /nfs/dbraw/zinc/36/84/79/507368479.db2.gz PNMNNUSWDIXADU-GDNBJRDFSA-N -1 0 352.346 2.905 50 10 FFCARM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1O ZINC000001192601 536597612 /nfs/dbraw/zinc/59/76/12/536597612.db2.gz JTBPWSVDTZTTGL-MDWZMJQESA-N -1 0 372.764 2.721 50 10 FFCARM COc1ccccc1/C=C1\C(=O)[N-]C(=S)N(c2ccccc2OC)C1=O ZINC000000753053 536982189 /nfs/dbraw/zinc/98/21/89/536982189.db2.gz BPEBCJOPSVMQGK-ACCUITESSA-N -1 0 368.414 2.535 50 10 FFCARM COc1cccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)c1OC ZINC000001192790 1014452767 /nfs/dbraw/zinc/45/27/67/1014452767.db2.gz PJBPCDURTPTWLX-RVDMUPIBSA-N -1 0 366.373 2.679 50 10 FFCARM CC[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(OC)cc2OC)SC1=S ZINC000001805083 210371936 /nfs/dbraw/zinc/37/19/36/210371936.db2.gz JTMHWUQRWYGWFD-NUBYWOLOSA-N -1 0 367.448 2.768 50 10 FFCARM COc1ccc(/C=C2/SC(=S)N(CCCC(=O)[O-])C2=O)c(OC)c1 ZINC000001476220 210356849 /nfs/dbraw/zinc/35/68/49/210356849.db2.gz IWKOLNQWNOOBIW-MDWZMJQESA-N -1 0 367.448 2.770 50 10 FFCARM COc1ccc(CCN2C(=O)[N-]C(=O)C(=Cc3ccc[nH]3)C2=O)cc1OC ZINC000020502687 220331354 /nfs/dbraw/zinc/33/13/54/220331354.db2.gz USAHPHJTNMCDER-KAMYIIQDSA-N -1 0 369.377 2.577 50 10 FFCARM COc1cc(C=C2C(=O)[N-]C(=O)NC2=O)ccc1O[C@H](C)c1ccccc1 ZINC000001191700 210331144 /nfs/dbraw/zinc/33/11/44/210331144.db2.gz JOSPBWIGPZUESR-GFCCVEGCSA-N -1 0 366.373 2.585 50 10 FFCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc([N+](=O)[O-])s3)C2=O)cc1 ZINC000004815406 132255236 /nfs/dbraw/zinc/25/52/36/132255236.db2.gz KNKZYXQKHRQLIK-WQLSENKSSA-N -1 0 357.347 2.631 50 10 FFCARM O=C1[N-]C(=S)N(c2ccccc2)C(=O)/C1=C/c1ccc(N2CCCC2)o1 ZINC000001176571 132380624 /nfs/dbraw/zinc/38/06/24/132380624.db2.gz LXUGVQDEFVXRQX-NTCAYCPXSA-N -1 0 367.430 2.711 50 10 FFCARM COc1cccc(NC=C2C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)c1 ZINC000002892957 132384303 /nfs/dbraw/zinc/38/43/03/132384303.db2.gz GNWMZAVDXVBNFO-RAXLEYEMSA-N -1 0 371.393 2.578 50 10 FFCARM CC1=NN(Cc2ccccc2)C(=O)/C1=C/c1ccc(OCC(=O)[O-])cc1 ZINC000102041473 222288137 /nfs/dbraw/zinc/28/81/37/222288137.db2.gz CWGYDDQUADRUKM-WOJGMQOQSA-N -1 0 350.374 2.952 50 10 FFCARM O=C([O-])CCN1C(=O)/C(=C/c2ccc(OC(F)F)cc2)SC1=S ZINC000001266343 506257285 /nfs/dbraw/zinc/25/72/85/506257285.db2.gz FSBCUEQQHZZVKM-YFHOEESVSA-N -1 0 359.375 2.964 50 10 FFCARM O=C(NCc1cc([N+](=O)[O-])ccc1[O-])c1ccc(N2CCCCC2=O)cc1 ZINC000032820530 506298787 /nfs/dbraw/zinc/29/87/87/506298787.db2.gz SUXIIABXUNUCFO-UHFFFAOYSA-N -1 0 369.377 2.747 50 10 FFCARM CN(C)c1ccc(/C=C2/SC(=S)N(CCCC(=O)[O-])C2=O)cc1 ZINC000033373173 506357779 /nfs/dbraw/zinc/35/77/79/506357779.db2.gz ADTNETPFOBLKCF-JLHYYAGUSA-N -1 0 350.465 2.819 50 10 FFCARM COc1cc(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)c1O ZINC000004704467 506389891 /nfs/dbraw/zinc/38/98/91/506389891.db2.gz HQHLNRKLQBYIGE-MDWZMJQESA-N -1 0 372.764 2.721 50 10 FFCARM Cc1cc(/C=C2\SC(=S)N(CCC(=O)[O-])C2=O)cc2c1O[C@H](C)C2 ZINC000012062569 506812310 /nfs/dbraw/zinc/81/23/10/506812310.db2.gz VFDKNKRFNAZAHT-GARZTLJTSA-N -1 0 363.460 2.994 50 10 FFCARM COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)cc1OC ZINC000013895819 506958175 /nfs/dbraw/zinc/95/81/75/506958175.db2.gz PTHKUDUHPWJYGZ-XFXZXTDPSA-N -1 0 370.336 2.509 50 10 FFCARM CCOc1ccccc1/C=C1/C(=O)[N-]C(=S)N(c2ccccc2)C1=O ZINC000015822998 535486451 /nfs/dbraw/zinc/48/64/51/535486451.db2.gz IAGXNKGINIWPFD-QINSGFPZSA-N -1 0 352.415 2.917 50 10 FFCARM CC[C@H](C(=O)[O-])N1C(=O)/C(=C/c2cccc(OC)c2OC)SC1=S ZINC000001834050 210373553 /nfs/dbraw/zinc/37/35/53/210373553.db2.gz OMNHPQAHMDGVLG-BKLZJWBFSA-N -1 0 367.448 2.768 50 10 FFCARM O=C1[N-]N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C1\C(=O)Nc2ccccc21 ZINC000001425533 210351871 /nfs/dbraw/zinc/35/18/71/210351871.db2.gz WJARWJUNNLIDGE-YPKPFQOOSA-N -1 0 374.183 2.777 50 10 FFCARM NC(=O)c1c([N-]S(=O)(=O)Cc2ccccc2)sc2c1CCCC2 ZINC000027916452 220551086 /nfs/dbraw/zinc/55/10/86/220551086.db2.gz ZUZGXFJRBOPQFR-UHFFFAOYSA-N -1 0 350.465 2.668 50 10 FFCARM COCc1cccc([C@@H](C(=O)[O-])N2CCN(c3ccc(OC)cc3)CC2)c1 ZINC000095512665 132213235 /nfs/dbraw/zinc/21/32/35/132213235.db2.gz AQVUBNMRDPCDED-FQEVSTJZSA-N -1 0 370.449 2.790 50 10 FFCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=CNCCC3=CCCCC3)C2=O)cc1 ZINC000100094233 132232360 /nfs/dbraw/zinc/23/23/60/132232360.db2.gz FDYKHQANRJACNC-GHRIWEEISA-N -1 0 353.422 2.942 50 10 FFCARM O=C1[N-]C(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(O)cc1O ZINC000002916462 132384241 /nfs/dbraw/zinc/38/42/41/132384241.db2.gz ZEYZQRKEMAZIKU-NTUHNPAUSA-N -1 0 374.805 2.583 50 10 FFCARM COc1cc([N-]S(=O)(=O)c2cccc3nsnc32)cc(OC)c1 ZINC000002926021 506302283 /nfs/dbraw/zinc/30/22/83/506302283.db2.gz KVFARGWFFZTEJG-UHFFFAOYSA-N -1 0 351.409 2.509 50 10 FFCARM COc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2cc(C)cc(C)c2)C1=O ZINC000004853848 506399140 /nfs/dbraw/zinc/39/91/40/506399140.db2.gz CAFKTKVXPDRIMF-LFIBNONCSA-N -1 0 350.374 2.978 50 10 FFCARM COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc1C ZINC000014011144 506962711 /nfs/dbraw/zinc/96/27/11/506962711.db2.gz MKMDDHUNZXKJQT-WJDWOHSUSA-N -1 0 350.374 2.978 50 10 FFCARM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)c(C)n1C ZINC000016977818 507111403 /nfs/dbraw/zinc/11/14/03/507111403.db2.gz ZGWMEVSYNYDFKQ-VGOFMYFVSA-N -1 0 367.361 2.877 50 10 FFCARM O=C1[N-]C(=S)N(c2ccccc2Cl)C(=O)C1=CNN1CCCCC1 ZINC000016973788 507111434 /nfs/dbraw/zinc/11/14/34/507111434.db2.gz CESZYTJBMPBHBR-ZHACJKMWSA-N -1 0 364.858 2.802 50 10 FFCARM O=C1[N-]C(=S)N(c2ccc(Cl)cc2)C(=O)C1=CNN1CCCCC1 ZINC000017123810 507117487 /nfs/dbraw/zinc/11/74/87/507117487.db2.gz PBWBUGCQMQVZOH-RAXLEYEMSA-N -1 0 364.858 2.802 50 10 FFCARM COc1ccc(N=Nc2c(NC(C)=O)[n-]n(-c3ccccc3)c2=O)cc1 ZINC000102159156 570828066 /nfs/dbraw/zinc/82/80/66/570828066.db2.gz QLPZVLGFZOXYTO-FVGNFYTDSA-N -1 0 351.366 2.644 50 10 FFCARM COc1cc(/C=C2/C(=O)[N-]N(c3ccc(C)cc3)C2=O)cc(Cl)c1O ZINC000015658728 727821127 /nfs/dbraw/zinc/82/11/27/727821127.db2.gz JOTXLIKYKRJQMW-QPEQYQDCSA-N -1 0 358.781 2.824 50 10 FFCARM Cc1cc(C)c(N2C(=O)[N-]C(=O)C(=Cc3ccc([N+](=O)[O-])o3)C2=O)c(C)c1 ZINC000005091948 975810159 /nfs/dbraw/zinc/81/01/59/975810159.db2.gz CAYKQGHCIWZHGN-JYRVWZFOSA-N -1 0 369.333 2.779 50 10 FFCARM CCN(CC)c1ccc(/C=C2/C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc1 ZINC000013496676 220071219 /nfs/dbraw/zinc/07/12/19/220071219.db2.gz NMJGZBDETNIMOZ-ATVHPVEESA-N -1 0 367.405 2.788 50 10 FFCARM Cc1cc(C=C2C(=O)[N-]C(=O)N(C)C2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000013892731 211063839 /nfs/dbraw/zinc/06/38/39/211063839.db2.gz SJYKAVWSVREAIA-NVNXTCNLSA-N -1 0 368.349 2.934 50 10 FFCARM CC(C)[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccccc2[N+](=O)[O-])SC1=S ZINC000002381758 210395352 /nfs/dbraw/zinc/39/53/52/210395352.db2.gz YMNOJXWETGGYMP-SEVUFMINSA-N -1 0 366.420 2.905 50 10 FFCARM C[C@@H]([NH2+]Cc1c([O-])ccc2c(=O)c(Oc3ccc(F)cc3)coc21)C(=O)[O-] ZINC000019702869 220286522 /nfs/dbraw/zinc/28/65/22/220286522.db2.gz IBYILYHDYYCSON-SNVBAGLBSA-N -1 0 373.336 2.993 50 10 biogenic FFCARM CCCOC(=O)CN1C(=O)/C(=C/c2ccc(C(=O)[O-])cc2)SC1=S ZINC000001809413 210371079 /nfs/dbraw/zinc/37/10/79/210371079.db2.gz ZHYCTIMKQKKFTM-WQLSENKSSA-N -1 0 365.432 2.539 50 10 FFCARM CCOc1ccc(/C=C2\SC(=S)N([C@@H](C)C(=O)[O-])C2=O)cc1OC ZINC000000967076 210297955 /nfs/dbraw/zinc/29/79/55/210297955.db2.gz PGEWGMAWJYNRBY-LMRAXHDRSA-N -1 0 367.448 2.768 50 10 FFCARM Cc1cccc(N2C(=O)[N-]C(=O)C(=CNc3cc(Cl)ccc3O)C2=O)c1 ZINC000005548078 132828595 /nfs/dbraw/zinc/82/85/95/132828595.db2.gz BDYIAMSMKIBORA-LCYFTJDESA-N -1 0 371.780 2.933 50 10 FFCARM COc1ccc(OC)c(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c1 ZINC000015659272 132878185 /nfs/dbraw/zinc/87/81/85/132878185.db2.gz CGOHQCSQPUFAJX-WJDWOHSUSA-N -1 0 366.373 2.679 50 10 FFCARM O=C([O-])[C@@H]([NH2+]Cc1c([O-])ccc2c3c(c(=O)oc21)CCC3)c1ccccc1 ZINC000005235522 506430346 /nfs/dbraw/zinc/43/03/46/506430346.db2.gz DCBNOGJYMXFUPH-SFHVURJKSA-N -1 0 365.385 2.903 50 10 FFCARM O=C1[N-]N(c2cccc(Br)c2)C(=O)/C1=C\c1ccccc1O ZINC000005583336 506449568 /nfs/dbraw/zinc/44/95/68/506449568.db2.gz UNQFKHRTFQWCEO-JYRVWZFOSA-N -1 0 359.179 2.616 50 10 FFCARM O=C([O-])CN1C(=O)/C(=C/c2c(F)c(F)c(F)c(F)c2F)SC1=S ZINC000006295456 506474511 /nfs/dbraw/zinc/47/45/11/506474511.db2.gz LJJDHOVKMRPDJA-RJRFIUFISA-N -1 0 369.292 2.668 50 10 FFCARM O=S(=O)([N-]c1cccc(Br)c1)c1cccc2nonc21 ZINC000006502385 506486020 /nfs/dbraw/zinc/48/60/20/506486020.db2.gz DUGXFCHNSKIPBR-UHFFFAOYSA-N -1 0 354.185 2.786 50 10 FFCARM O=C1[N-]C(=O)N(c2ccccc2F)C(=O)C1=Cc1nc2ccccc2[nH]1 ZINC000017180779 507118020 /nfs/dbraw/zinc/11/80/20/507118020.db2.gz FJAOIYWOMQELFE-KTKRTIGZSA-N -1 0 350.309 2.573 50 10 FFCARM CCCCCCN1C(=O)[N-]C(=O)/C(=C\c2ccc(OC)cc2OC)C1=O ZINC000002496554 963726633 /nfs/dbraw/zinc/72/66/33/963726633.db2.gz VCUYACVWBOXKSY-RVDMUPIBSA-N -1 0 360.410 2.746 50 10 FFCARM Cc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)[N-]C(=O)NC2=O)cc1 ZINC000001177877 219385493 /nfs/dbraw/zinc/38/54/93/219385493.db2.gz FHVHDYICLONCEM-UHFFFAOYSA-N -1 0 372.384 2.597 50 10 FFCARM COc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(O)cc1 ZINC000040414109 212037557 /nfs/dbraw/zinc/03/75/57/212037557.db2.gz VIFLVKANQAWPQU-UHFFFAOYSA-N -1 0 358.213 2.964 50 10 FFCARM O=C([O-])CCn1cc(C=C2SC(=S)NC2=O)c(-c2ccccc2)n1 ZINC000012616805 220014209 /nfs/dbraw/zinc/01/42/09/220014209.db2.gz DQPAROZMMGNIBJ-WQLSENKSSA-N -1 0 359.432 2.514 50 10 FFCARM Cn1cccc1/C=C1\SC(=S)N([C@H](Cc2ccccc2)C(=O)[O-])C1=O ZINC000013776897 220093695 /nfs/dbraw/zinc/09/36/95/220093695.db2.gz KJCWFFVOKRNCEF-ADVGAGMGSA-N -1 0 372.471 2.922 50 10 FFCARM CN1C(=O)c2ccc(C(=O)Nc3cc(Cl)ccc3C(=O)[O-])cc2C1=O ZINC000004700964 210553629 /nfs/dbraw/zinc/55/36/29/210553629.db2.gz XQKPSOPEDGAOGD-UHFFFAOYSA-N -1 0 358.737 2.516 50 10 FFCARM Cn1cccc1/C=C1/SC(=S)N([C@@H](Cc2ccccc2)C(=O)[O-])C1=O ZINC000002333100 210391473 /nfs/dbraw/zinc/39/14/73/210391473.db2.gz KJCWFFVOKRNCEF-AYYGCFCKSA-N -1 0 372.471 2.922 50 10 FFCARM COc1cccc(N2C(=O)[N-]C(=O)C(=CNc3ccc(C)cc3)C2=O)c1 ZINC000100401468 132232864 /nfs/dbraw/zinc/23/28/64/132232864.db2.gz AMPITOIJDBGCKE-WJDWOHSUSA-N -1 0 351.362 2.582 50 10 FFCARM O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C/c1ccc(N2CCCCC2)o1 ZINC000001184265 132380817 /nfs/dbraw/zinc/38/08/17/132380817.db2.gz OSEHRZOLUSOCJW-DTQAZKPQSA-N -1 0 365.389 2.936 50 10 FFCARM O=C1[N-]C(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(O)cc1 ZINC000001198422 132380968 /nfs/dbraw/zinc/38/09/68/132380968.db2.gz CGQKJBWOYLMITB-RIYZIHGNSA-N -1 0 358.806 2.877 50 10 FFCARM O=C1[N-]C(=O)C(=Cc2ccc(OCc3ccccc3F)c(Cl)c2)C(=O)N1 ZINC000001178703 506254888 /nfs/dbraw/zinc/25/48/88/506254888.db2.gz LJLDIAONFYNYCI-UHFFFAOYSA-N -1 0 374.755 2.808 50 10 FFCARM COc1ccc([N-]S(=O)(=O)c2cccc3nsnc32)c(OC)c1 ZINC000003326349 506322490 /nfs/dbraw/zinc/32/24/90/506322490.db2.gz QSAWXUGRIGRUGQ-UHFFFAOYSA-N -1 0 351.409 2.509 50 10 FFCARM CC[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(C(=O)OC)cc2)SC1=S ZINC000004357012 506373494 /nfs/dbraw/zinc/37/34/94/506373494.db2.gz IPBPYGAUIUXUGK-LCFDYFRESA-N -1 0 365.432 2.538 50 10 FFCARM CC(C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc([N+](=O)[O-])o3)C2=O)cc1 ZINC000005066600 506418766 /nfs/dbraw/zinc/41/87/66/506418766.db2.gz IIGCFMZGXXGFHA-ZROIWOOFSA-N -1 0 369.333 2.978 50 10 FFCARM CCC[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(O)c(OC)c2)SC1=S ZINC000005478127 506443904 /nfs/dbraw/zinc/44/39/04/506443904.db2.gz JPXWFFXESCCWTD-GARZTLJTSA-N -1 0 367.448 2.855 50 10 FFCARM COc1ccccc1N1C(=O)C(=CNc2ccccc2F)C(=O)[N-]C1=S ZINC000016662446 507101956 /nfs/dbraw/zinc/10/19/56/507101956.db2.gz GMAPXJTVTZMETN-KHPPLWFESA-N -1 0 371.393 2.578 50 10 FFCARM O=C1[N-]C(=O)N(Cc2ccccc2)C(=O)/C1=C/N1CCCc2ccccc21 ZINC000031867283 507822207 /nfs/dbraw/zinc/82/22/07/507822207.db2.gz MNFWQASJLJPACM-SAPNQHFASA-N -1 0 361.401 2.602 50 10 FFCARM COc1ccccc1N1C(=O)C(=CNc2ccccc2C)C(=O)[N-]C1=S ZINC000016662464 1022320323 /nfs/dbraw/zinc/32/03/23/1022320323.db2.gz BWIXCRKKIKGPNV-QBFSEMIESA-N -1 0 367.430 2.747 50 10 FFCARM CC(C)[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S ZINC000001213267 219389790 /nfs/dbraw/zinc/38/97/90/219389790.db2.gz LPYQKLLCNZMFBW-TZQNSNDFSA-N -1 0 365.432 2.726 50 10 FFCARM COc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(Cl)c1OC ZINC000015837151 220167306 /nfs/dbraw/zinc/16/73/06/220167306.db2.gz ICZLPOBPENZLSH-JYRVWZFOSA-N -1 0 358.781 2.819 50 10 FFCARM O=C([O-])c1ccc2c(c1)nc1n(c2=O)CC/C1=C\c1ccccc1[N+](=O)[O-] ZINC000020987622 211300975 /nfs/dbraw/zinc/30/09/75/211300975.db2.gz CHLOJJZRYMIXOM-FMIVXFBMSA-N -1 0 363.329 2.947 50 10 FFCARM Cc1ccc(Cl)c(OCC(=O)NCc2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000014139011 211077205 /nfs/dbraw/zinc/07/72/05/211077205.db2.gz NLWHXGSKOBMJJH-UHFFFAOYSA-N -1 0 350.758 2.957 50 10 FFCARM COc1ccc(/C=C2\SC(=S)N(CCCC(=O)[O-])C2=O)c(OC)c1 ZINC000013343522 211030146 /nfs/dbraw/zinc/03/01/46/211030146.db2.gz IWKOLNQWNOOBIW-JYRVWZFOSA-N -1 0 367.448 2.770 50 10 FFCARM COc1cc(/C=C2\SC(=S)N([C@H](C(=O)[O-])C(C)C)C2=O)ccc1O ZINC000000977998 210297543 /nfs/dbraw/zinc/29/75/43/210297543.db2.gz HDMVRUHSNFQVDW-OTAKNEKHSA-N -1 0 367.448 2.711 50 10 FFCARM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3ccc4c(c3)OCO4)C2=O)c1 ZINC000001214231 132381127 /nfs/dbraw/zinc/38/11/27/132381127.db2.gz YSOFHIAMTVMDPW-OVCLIPMQSA-N -1 0 364.357 2.699 50 10 FFCARM COc1ccc(/C=C2/SC(=S)N(CCCCC(=O)[O-])C2=O)cc1O ZINC000097990670 222218676 /nfs/dbraw/zinc/21/86/76/222218676.db2.gz JFYJMWLCUMICOM-UKTHLTGXSA-N -1 0 367.448 2.857 50 10 FFCARM CCOc1ccc(NC=C2C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)cc1 ZINC000006600728 506490857 /nfs/dbraw/zinc/49/08/57/506490857.db2.gz QQJQLBUXMAGVFT-ATVHPVEESA-N -1 0 365.389 2.973 50 10 FFCARM CCOC(=O)C[C@H](c1ccc(O)c(O)c1)c1c([O-])c2ccccc2[nH]c1=O ZINC000072326130 507776001 /nfs/dbraw/zinc/77/60/01/507776001.db2.gz ZBFKTWCGSXCFKP-CYBMUJFWSA-N -1 0 369.373 2.730 50 10 biogenic FFCARM CCCCCCN1C(=O)[N-]C(=O)C(=CNc2ccc(NC(C)=O)cc2)C1=O ZINC000100788664 508240155 /nfs/dbraw/zinc/24/01/55/508240155.db2.gz PXSDBWCSOBGWIR-FOWTUZBSSA-N -1 0 372.425 2.600 50 10 FFCARM CC(=O)n1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)c2ccccc21 ZINC000003120977 534960184 /nfs/dbraw/zinc/96/01/84/534960184.db2.gz UPVIDIQYFZKUNL-GZTJUZNOSA-N -1 0 373.368 2.968 50 10 FFCARM O=C([N-]N1C(=O)/C(=C\c2cccnc2)SC1=S)c1ccccc1F ZINC000005932306 210082984 /nfs/dbraw/zinc/08/29/84/210082984.db2.gz MZSCESBJSMQING-MDWZMJQESA-N -1 0 359.407 2.767 50 10 FFCARM CCc1ccc(N2[N-]C(=O)/C(=C\c3cccc(OC(C)=O)c3)C2=O)cc1 ZINC000000666884 219311399 /nfs/dbraw/zinc/31/13/99/219311399.db2.gz UZIUFBSQLZPKDM-LDADJPATSA-N -1 0 350.374 2.636 50 10 FFCARM COC(=O)c1c2c(sc1NC(=O)[C@@H]1CCCC[C@H]1C(=O)[O-])CCC2 ZINC000002744789 219461592 /nfs/dbraw/zinc/46/15/92/219461592.db2.gz MUTNGMJUXMTKSV-NXEZZACHSA-N -1 0 351.424 2.853 50 10 FFCARM O=S(=O)([N-]c1ccc2c(c1)OCCCO2)c1cccc2nsnc21 ZINC000019108580 211201516 /nfs/dbraw/zinc/20/15/16/211201516.db2.gz YHEPNEYQSGQOHL-UHFFFAOYSA-N -1 0 363.420 2.653 50 10 FFCARM CCc1cc2c(C)cc(=O)oc2c(CN2CCN(C(=O)C(C)C)CC2)c1[O-] ZINC000014170988 211081123 /nfs/dbraw/zinc/08/11/23/211081123.db2.gz POFDXUOSRPVHTM-UHFFFAOYSA-N -1 0 372.465 2.670 50 10 FFCARM CCOC(=O)c1ccc(N2[N-]C(=O)/C(=C\C=C\c3ccccc3)C2=O)cc1 ZINC000001032070 210303294 /nfs/dbraw/zinc/30/32/94/210303294.db2.gz OMJGKDXPHGDPBT-XICJKMHVSA-N -1 0 362.385 2.881 50 10 FFCARM Cc1ccccc1N1C(=O)[N-]C(=O)C(=CNCCSC(C)(C)C)C1=O ZINC000006208483 132258227 /nfs/dbraw/zinc/25/82/27/132258227.db2.gz NHSQCXXZYYVYOU-QBFSEMIESA-N -1 0 361.467 2.583 50 10 FFCARM O=C1[N-]C(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(O)cc1 ZINC000000766540 132378373 /nfs/dbraw/zinc/37/83/73/132378373.db2.gz NZBRMBDSQWNCBN-NTEUORMPSA-N -1 0 358.806 2.877 50 10 FFCARM COc1cc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)ccc1SC ZINC000096298123 222113754 /nfs/dbraw/zinc/11/37/54/222113754.db2.gz PDEMACSNVFDSTH-IZZDOVSWSA-N -1 0 355.462 2.703 50 10 FFCARM Cc1nc2ccc(C(=O)NCc3cc([N+](=O)[O-])ccc3[O-])cc2nc1C ZINC000032820528 506298805 /nfs/dbraw/zinc/29/88/05/506298805.db2.gz VGIYQIBFHCOBAJ-UHFFFAOYSA-N -1 0 352.350 2.790 50 10 FFCARM CC(=O)Nc1cc([N-]S(=O)(=O)c2ccc(Cl)cc2F)ccc1O ZINC000032831493 506301811 /nfs/dbraw/zinc/30/18/11/506301811.db2.gz JIUAJTMUKIGKLK-UHFFFAOYSA-N -1 0 358.778 2.944 50 10 FFCARM CCCCC1(C)OC(=O)C(=Cc2cc(OC)c([O-])c([N+](=O)[O-])c2)C(=O)O1 ZINC000034721512 506370725 /nfs/dbraw/zinc/37/07/25/506370725.db2.gz NBCRVVQERJTLQA-UHFFFAOYSA-N -1 0 365.338 2.699 50 10 FFCARM CSCC[C@H](C(=O)[O-])N1C(=O)/C(=C\c2cccc(O)c2)SC1=S ZINC000004794983 506395198 /nfs/dbraw/zinc/39/51/98/506395198.db2.gz GUDOSHXDNHLWRU-OYGDSYQHSA-N -1 0 369.489 2.800 50 10 FFCARM CN1C(=O)c2ccc(C(=O)Nc3ccc(Cl)cc3C(=O)[O-])cc2C1=O ZINC000004826348 506397402 /nfs/dbraw/zinc/39/74/02/506397402.db2.gz GZOPVDIRVNRXTL-UHFFFAOYSA-N -1 0 358.737 2.516 50 10 FFCARM COc1ccc(/C=C2\SC(=S)N(CCCCC(=O)[O-])C2=O)cc1O ZINC000007166362 506540445 /nfs/dbraw/zinc/54/04/45/506540445.db2.gz JFYJMWLCUMICOM-LCYFTJDESA-N -1 0 367.448 2.857 50 10 FFCARM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)ccc1O ZINC000013661723 506949099 /nfs/dbraw/zinc/94/90/99/506949099.db2.gz JRWPPLFECHOETB-ZROIWOOFSA-N -1 0 370.336 2.596 50 10 FFCARM O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C\c1ccc(Br)o1 ZINC000015009139 507011197 /nfs/dbraw/zinc/01/11/97/507011197.db2.gz YZWWFVUKFLWWDL-FLIBITNWSA-N -1 0 361.151 2.709 50 10 FFCARM COc1ccc(N2C(=O)/C(=C\c3ccc(C)s3)C(=O)[N-]C2=S)cc1 ZINC000001197689 536659634 /nfs/dbraw/zinc/65/96/34/536659634.db2.gz UWNQYMDXSHYJFE-ZROIWOOFSA-N -1 0 358.444 2.896 50 10 FFCARM CC1=C(C(=O)Oc2ccccc2)[C@@H](c2cc([N+](=O)[O-])ccc2[O-])NC(=O)N1 ZINC000022018063 960895252 /nfs/dbraw/zinc/89/52/52/960895252.db2.gz DXMIOKHPKNUKEP-MRXNPFEDSA-N -1 0 369.333 2.534 50 10 FFCARM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OC)C2=O)cc1 ZINC000000831351 1014211891 /nfs/dbraw/zinc/21/18/91/1014211891.db2.gz PZDMJPZVARSEFD-FOWTUZBSSA-N -1 0 366.373 2.760 50 10 FFCARM O=C1[N-]C(=O)N(Cc2ccc(F)cc2)C(=O)C1=CNNc1ccccc1 ZINC000016996263 211176465 /nfs/dbraw/zinc/17/64/65/211176465.db2.gz KOGLPYMWSLRVMN-XNTDXEJSSA-N -1 0 354.341 2.745 50 10 FFCARM COc1ccc(/C=C2/C(=O)[N-]N(c3ccc(Cl)cc3)C2=O)cc1OC ZINC000016667570 211166670 /nfs/dbraw/zinc/16/66/70/211166670.db2.gz RFHXXMMMHZMXAM-ZROIWOOFSA-N -1 0 358.781 2.819 50 10 FFCARM CC[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(OC)cc2OC)SC1=S ZINC000005960469 210652007 /nfs/dbraw/zinc/65/20/07/210652007.db2.gz JTMHWUQRWYGWFD-DELQEKLWSA-N -1 0 367.448 2.768 50 10 FFCARM COc1cc(/C=C2\SC(=S)N([C@@H](C(=O)[O-])C(C)C)C2=O)ccc1O ZINC000000978000 210297339 /nfs/dbraw/zinc/29/73/39/210297339.db2.gz HDMVRUHSNFQVDW-FFXRNRBCSA-N -1 0 367.448 2.711 50 10 FFCARM COc1ccccc1NNC=C1C(=O)[N-]C(=O)N(c2ccccc2)C1=O ZINC000097402230 132228654 /nfs/dbraw/zinc/22/86/54/132228654.db2.gz AUXLNEUTSDRJER-ACCUITESSA-N -1 0 352.350 2.619 50 10 FFCARM COc1ccc(N2CCN(Cc3cc(OC)c([O-])c([N+](=O)[O-])c3)CC2)cc1 ZINC000001227767 132381322 /nfs/dbraw/zinc/38/13/22/132381322.db2.gz PKVPPFNWXFNWNT-UHFFFAOYSA-N -1 0 373.409 2.640 50 10 FFCARM CCn1c(C)cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)c1C ZINC000004679608 506387947 /nfs/dbraw/zinc/38/79/47/506387947.db2.gz NMBQDSBOJOMUQE-CXUHLZMHSA-N -1 0 355.369 2.930 50 10 FFCARM COc1ccc(N2C(=O)/C(=C\c3ccc(F)cc3)C(=O)[N-]C2=S)cc1 ZINC000004739012 506391669 /nfs/dbraw/zinc/39/16/69/506391669.db2.gz HOJQDYPFKRXKOD-GDNBJRDFSA-N -1 0 356.378 2.666 50 10 FFCARM Cc1[n-]n(-c2ccc3nnc(C)n3n2)c(=O)c1C=Nc1ccccc1Cl ZINC000036354647 506401506 /nfs/dbraw/zinc/40/15/06/506401506.db2.gz IFFSLYBVOZBQJA-FMIVXFBMSA-N -1 0 367.800 2.805 50 10 FFCARM CC(C)(C)N1C(=O)[N-]C(=O)/C(=C/c2ccc(Br)s2)C1=O ZINC000005632396 506450913 /nfs/dbraw/zinc/45/09/13/506450913.db2.gz CPCYOQACLZHUNG-VURMDHGXSA-N -1 0 357.229 2.771 50 10 FFCARM CC(=O)NC1=NC(=O)/C(=C\c2ccc(-c3ccc(C(=O)[O-])cc3)o2)S1 ZINC000005789472 506456466 /nfs/dbraw/zinc/45/64/66/506456466.db2.gz JGMVYZPHPPNLGF-RIYZIHGNSA-N -1 0 356.359 2.751 50 10 FFCARM Cc1cc(OC(F)F)ccc1[N-]S(=O)(=O)c1cccc2nonc21 ZINC000006502350 506486142 /nfs/dbraw/zinc/48/61/42/506486142.db2.gz ANWKNJQHMBQSSB-UHFFFAOYSA-N -1 0 355.322 2.933 50 10 FFCARM Cc1nc(Cc2ccccc2)nc2sc(C(=O)N3CCOCC3)c([O-])c21 ZINC000012321920 506848885 /nfs/dbraw/zinc/84/88/85/506848885.db2.gz ZXQFREYIVCDWCM-UHFFFAOYSA-N -1 0 369.446 2.769 50 10 FFCARM CC(C)C(=O)c1ccc(S(=O)(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000096011295 508202527 /nfs/dbraw/zinc/20/25/27/508202527.db2.gz HLPYCTRROWIIEZ-UHFFFAOYSA-N -1 0 364.379 2.940 50 10 FFCARM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)C1=CNc1ccccc1O ZINC000103807491 570852561 /nfs/dbraw/zinc/85/25/61/570852561.db2.gz HWALCFNSDQLWLV-FMIVXFBMSA-N -1 0 357.753 2.624 50 10 FFCARM O=C([O-])CN1C(=O)/C(=C\c2csc(Br)c2)SC1=S ZINC000045111289 570905700 /nfs/dbraw/zinc/90/57/00/570905700.db2.gz ASVCYJRINAKVQW-LZCJLJQNSA-N -1 0 364.267 2.796 50 10 FFCARM Cc1cc(C=C2C(=O)[N-]C(=O)N(C)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1 ZINC000015723095 1021958359 /nfs/dbraw/zinc/95/83/59/1021958359.db2.gz GTJODDGEZASBKB-DHDCSXOGSA-N -1 0 368.349 2.934 50 10 FFCARM COc1cccc(/C=C2/SC(=S)N(CCCC(=O)[O-])C2=O)c1OC ZINC000001237605 219392606 /nfs/dbraw/zinc/39/26/06/219392606.db2.gz PTTVGWGQFZWUSK-FMIVXFBMSA-N -1 0 367.448 2.770 50 10 FFCARM C[C@@H]1CCC[C@@H](NC=C2C(=O)[N-]C(=O)N(Cc3ccccc3)C2=O)[C@@H]1C ZINC000020462953 211281040 /nfs/dbraw/zinc/28/10/40/211281040.db2.gz XJMUZMBWWFXJKP-FLTJOUMLSA-N -1 0 355.438 2.563 50 10 FFCARM Cc1ccc(CN(C)CC(=O)NCc2cc([N+](=O)[O-])ccc2[O-])c(C)c1 ZINC000014139468 211077482 /nfs/dbraw/zinc/07/74/82/211077482.db2.gz CEUGDFIMHDRMJP-UHFFFAOYSA-N -1 0 357.410 2.665 50 10 FFCARM COc1ccccc1NC=C1C(=O)[N-]C(=O)N(c2cccc(Cl)c2)C1=O ZINC000100401599 132232632 /nfs/dbraw/zinc/23/26/32/132232632.db2.gz QIJIMNAGHMDXTR-RAXLEYEMSA-N -1 0 371.780 2.927 50 10 FFCARM CCCCN1C(=O)[N-]C(=O)C(=CNc2ccc(N(CC)CC)cc2)C1=O ZINC000100966785 222257692 /nfs/dbraw/zinc/25/76/92/222257692.db2.gz ZTVDIGUACRWWPO-DTQAZKPQSA-N -1 0 358.442 2.707 50 10 FFCARM O=C([O-])CN1C(=O)/C(=C\c2ccc(N3CCCC3)c(F)c2)SC1=S ZINC000002830304 506295851 /nfs/dbraw/zinc/29/58/51/506295851.db2.gz CVPLUAOCXVDQHH-MDWZMJQESA-N -1 0 366.439 2.712 50 10 FFCARM CC[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(C(=O)OC)cc2)SC1=S ZINC000004357015 506373146 /nfs/dbraw/zinc/37/31/46/506373146.db2.gz IPBPYGAUIUXUGK-HQQGHWSLSA-N -1 0 365.432 2.538 50 10 FFCARM COc1cccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c1O ZINC000004704566 506390522 /nfs/dbraw/zinc/39/05/22/506390522.db2.gz ZCEZOKTUDFHIGD-UKTHLTGXSA-N -1 0 372.764 2.721 50 10 FFCARM CSCC[C@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(O)cc2)SC1=S ZINC000004792812 506395966 /nfs/dbraw/zinc/39/59/66/506395966.db2.gz NQFYFJCESYRWQS-OYGDSYQHSA-N -1 0 369.489 2.800 50 10 FFCARM CC[C@H](C(=O)[O-])N1C(=O)/C(=C\c2cccc(OC)c2OC)SC1=S ZINC000006080793 506466184 /nfs/dbraw/zinc/46/61/84/506466184.db2.gz OMNHPQAHMDGVLG-ZDIKFAODSA-N -1 0 367.448 2.768 50 10 FFCARM O=C1[N-]C(=O)C(=Cc2ccc(-c3ccc(C(F)(F)F)cn3)cc2)C(=O)N1 ZINC000263639991 534784909 /nfs/dbraw/zinc/78/49/09/534784909.db2.gz RSLLDLOXVZMFMP-UHFFFAOYSA-N -1 0 361.279 2.517 50 10 FFCARM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)C1=CNc1ccc(O)cc1 ZINC000101350851 570819267 /nfs/dbraw/zinc/81/92/67/570819267.db2.gz OHTKSWFRKVSYHL-NTEUORMPSA-N -1 0 357.753 2.624 50 10 FFCARM O=C1[N-]N(c2cccc(Br)c2)C(=O)/C1=C/c1ccccc1O ZINC000207342041 570863692 /nfs/dbraw/zinc/86/36/92/570863692.db2.gz UNQFKHRTFQWCEO-MDWZMJQESA-N -1 0 359.179 2.616 50 10 FFCARM CCN(c1ccccc1C(=O)[O-])S(=O)(=O)c1cccc2nsnc21 ZINC000000792241 219321949 /nfs/dbraw/zinc/32/19/49/219321949.db2.gz TYNNKELNULKWKR-UHFFFAOYSA-N -1 0 363.420 2.605 50 10 FFCARM Cc1[n-]n(-c2ccccc2)c(=O)c1Sc1nnnn1-c1ccccc1 ZINC000001196283 219387762 /nfs/dbraw/zinc/38/77/62/219387762.db2.gz WLJHNHDMNZRFIM-HNNXBMFYSA-N -1 0 350.407 2.546 50 10 FFCARM COc1ccc(CN2C(=O)[N-]C(=O)/C(=C\C=C\c3ccccc3)C2=O)cc1 ZINC000001197369 219388493 /nfs/dbraw/zinc/38/84/93/219388493.db2.gz QLPLVLPWRHBOTQ-HYZSBJHASA-N -1 0 362.385 2.913 50 10 FFCARM C[C@@H]1CCc2c(sc([N-]S(=O)(=O)c3ccccc3)c2C(N)=O)C1 ZINC000013071632 220056444 /nfs/dbraw/zinc/05/64/44/220056444.db2.gz OTYITGCIULEXBH-SNVBAGLBSA-N -1 0 350.465 2.773 50 10 FFCARM CC(C)[C@H](C(=O)[O-])N1C(=O)/C(=C/c2cnc3ccccc3n2)SC1=S ZINC000054361124 221052843 /nfs/dbraw/zinc/05/28/43/221052843.db2.gz AWKKQSFMYOIDDM-SVSAJMPUSA-N -1 0 373.459 2.940 50 10 FFCARM COCc1cccc([C@H](C(=O)[O-])N2CCN(c3ccc(OC)cc3)CC2)c1 ZINC000095512666 132213178 /nfs/dbraw/zinc/21/31/78/132213178.db2.gz AQVUBNMRDPCDED-HXUWFJFHSA-N -1 0 370.449 2.790 50 10 FFCARM Cc1ccc(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])s3)C(=O)[N-]C2=S)cc1 ZINC000004825216 132255179 /nfs/dbraw/zinc/25/51/79/132255179.db2.gz VBXASWUMDTVHOY-WQLSENKSSA-N -1 0 373.415 2.796 50 10 FFCARM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(O)c(Cl)c3)C2=O)cc1 ZINC000001170519 132380679 /nfs/dbraw/zinc/38/06/79/132380679.db2.gz CEOMZUDEQWDHMB-MDWZMJQESA-N -1 0 372.764 2.721 50 10 FFCARM O=C1[N-]C(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cccc(O)c1 ZINC000001198673 132381055 /nfs/dbraw/zinc/38/10/55/132381055.db2.gz HLYPUAZRZACUNS-NTEUORMPSA-N -1 0 358.806 2.877 50 10 FFCARM COc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)ccc1O ZINC000038185325 136118569 /nfs/dbraw/zinc/11/85/69/136118569.db2.gz IMZONXHDVIBVQP-JYRVWZFOSA-N -1 0 354.318 2.613 50 10 FFCARM Cc1cc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)ccc1N1CCCC1 ZINC000006275789 506474490 /nfs/dbraw/zinc/47/44/90/506474490.db2.gz CLWMEIREWRBWRV-NTEUORMPSA-N -1 0 362.476 2.881 50 10 FFCARM COc1ccc(N2C(=O)/C(=C\c3sccc3C)C(=O)[N-]C2=S)cc1 ZINC000001197688 536658844 /nfs/dbraw/zinc/65/88/44/536658844.db2.gz HPXLQBKEIQNVPY-LCYFTJDESA-N -1 0 358.444 2.896 50 10 FFCARM Cc1cc(O)ccc1NC=C1C(=O)[N-]C(=O)N(c2cccc(Cl)c2)C1=O ZINC000101350751 570819345 /nfs/dbraw/zinc/81/93/45/570819345.db2.gz IQUYTKVMZJHNIH-NTEUORMPSA-N -1 0 371.780 2.933 50 10 FFCARM O=C([O-])CCCCCN1C(=O)/C(=C\c2ccc(O)c(O)c2)SC1=S ZINC000001916893 219422564 /nfs/dbraw/zinc/42/25/64/219422564.db2.gz OTXLDXUEYYRUQY-UKTHLTGXSA-N -1 0 367.448 2.944 50 10 FFCARM O=C([O-])[C@H](Cc1cc2ccccc2[nH]1)N1C(=O)[C@@H]2CC=C(Cl)C[C@H]2C1=O ZINC000007991402 219840707 /nfs/dbraw/zinc/84/07/07/219840707.db2.gz RPCJBPJVTPVNQM-FMKPAKJESA-N -1 0 372.808 2.681 50 10 FFCARM CCOc1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1 ZINC000100544937 132232754 /nfs/dbraw/zinc/23/27/54/132232754.db2.gz YCXZSSHRDJVAQZ-VBKFSLOCSA-N -1 0 351.362 2.664 50 10 FFCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N4CCCC4)o3)C2=O)cc1 ZINC000001185881 132380789 /nfs/dbraw/zinc/38/07/89/132380789.db2.gz PZDASWKDRUARGT-FOWTUZBSSA-N -1 0 365.389 2.855 50 10 FFCARM O=C([O-])CN1C(=O)/C(=C\c2ccc(N3CCCCC3)cc2)SC1=S ZINC000001294546 132381446 /nfs/dbraw/zinc/38/14/46/132381446.db2.gz IBVLXEZEGGOGEO-GXDHUFHOSA-N -1 0 362.476 2.963 50 10 FFCARM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(C)o3)C2=O)cc1Cl ZINC000002219806 132382838 /nfs/dbraw/zinc/38/28/38/132382838.db2.gz LBYUCIIFFSUIFY-WQLSENKSSA-N -1 0 360.753 2.916 50 10 FFCARM O=C1[N-]C(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccccc1O ZINC000006222216 132831526 /nfs/dbraw/zinc/83/15/26/132831526.db2.gz UNOKVWBVCZEDCG-UKTHLTGXSA-N -1 0 358.806 2.877 50 10 FFCARM Cc1cc(C=C2C(=O)[N-]C(=O)N(C)C2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000001178489 506253793 /nfs/dbraw/zinc/25/37/93/506253793.db2.gz SJYKAVWSVREAIA-OVCLIPMQSA-N -1 0 368.349 2.934 50 10 FFCARM CC(C)[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2nc3ccccc3[nH]2)SC1=S ZINC000002214341 506274194 /nfs/dbraw/zinc/27/41/94/506274194.db2.gz ZTHLFCPMXVGMDT-YLBKJLTLSA-N -1 0 361.448 2.873 50 10 FFCARM CC(C)[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)SC1=S ZINC000002571701 506283465 /nfs/dbraw/zinc/28/34/65/506283465.db2.gz HQCAXLOOJFXWST-RDQDRAATSA-N -1 0 366.420 2.905 50 10 FFCARM COc1ccc(N2C(=O)[N-]C(=O)C(=CNc3ccc(Cl)cc3)C2=O)cc1 ZINC000005578694 506449946 /nfs/dbraw/zinc/44/99/46/506449946.db2.gz FTYCNPJDMXKMIV-GDNBJRDFSA-N -1 0 371.780 2.927 50 10 FFCARM O=C1[N-]C(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(O)cc1O ZINC000016676193 507103390 /nfs/dbraw/zinc/10/33/90/507103390.db2.gz ZVDZBKMYYYDZNI-AWNIVKPZSA-N -1 0 374.805 2.583 50 10 FFCARM O=C1[N-]C(=O)N(c2ccccc2)C(=O)C1=Cc1c[nH]nc1-c1ccccc1 ZINC000018212819 507144123 /nfs/dbraw/zinc/14/41/23/507144123.db2.gz YSSTXNAOMMMIKU-WJDWOHSUSA-N -1 0 358.357 2.948 50 10 FFCARM COc1ccccc1/C=C1\C(=O)[N-]C(=S)N(c2ccc(C)cc2)C1=O ZINC000000753130 536982234 /nfs/dbraw/zinc/98/22/34/536982234.db2.gz QYBXGJSCHBMGDR-RVDMUPIBSA-N -1 0 352.415 2.835 50 10 FFCARM COc1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1Cl ZINC000100293367 570552281 /nfs/dbraw/zinc/55/22/81/570552281.db2.gz XIHFRXVSFKXMIW-JLHYYAGUSA-N -1 0 371.780 2.927 50 10 FFCARM O=C1[N-]C(=O)C(=Cc2cccn2-c2ccc(Cl)c([N+](=O)[O-])c2)C(=O)N1 ZINC000001151769 219381421 /nfs/dbraw/zinc/38/14/21/219381421.db2.gz SPCRZGXJCZGULE-UHFFFAOYSA-N -1 0 360.713 2.629 50 10 FFCARM O=C([O-])[C@H](Cc1ccccc1)N1C(=O)/C(=C\c2cccnc2)SC1=S ZINC000005814017 219700370 /nfs/dbraw/zinc/70/03/70/219700370.db2.gz SOXZZAZQUQZHJV-GWQWUEFDSA-N -1 0 370.455 2.979 50 10 FFCARM CC(C)[C@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S ZINC000005838410 219702069 /nfs/dbraw/zinc/70/20/69/219702069.db2.gz LPYQKLLCNZMFBW-XEVNVYFWSA-N -1 0 365.432 2.726 50 10 FFCARM COc1ccc(/C=C2/C(=O)[N-]C(=O)N(C3CCCCCC3)C2=O)cc1OC ZINC000016183824 220179833 /nfs/dbraw/zinc/17/98/33/220179833.db2.gz ZPJGRZVJWRFQLM-PTNGSMBKSA-N -1 0 372.421 2.888 50 10 FFCARM O=C([O-])CCN1C(=O)/C(=C/C=C/c2ccc([N+](=O)[O-])cc2)SC1=S ZINC000016677686 220190610 /nfs/dbraw/zinc/19/06/10/220190610.db2.gz XGFYMHNHUOAPHS-IQQCYWCCSA-N -1 0 364.404 2.827 50 10 FFCARM CCOc1ccc(/C=C2\SC(=S)N(CC(=O)[O-])C2=O)cc1OCC ZINC000016692867 220190679 /nfs/dbraw/zinc/19/06/79/220190679.db2.gz QJTQDAZADRVUBD-JYRVWZFOSA-N -1 0 367.448 2.770 50 10 FFCARM CCOc1cc(/C=C2/SC(=S)N([C@@H](CC)C(=O)[O-])C2=O)ccc1O ZINC000016890343 220195447 /nfs/dbraw/zinc/19/54/47/220195447.db2.gz ZOTFGTNTTRFCIK-XNFYSYIQSA-N -1 0 367.448 2.855 50 10 FFCARM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC)cc3)C2=O)cc1 ZINC000004696522 132255197 /nfs/dbraw/zinc/25/51/97/132255197.db2.gz LKHWQDMVWNSSHG-ATVHPVEESA-N -1 0 366.373 2.760 50 10 FFCARM O=C1[N-]C(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1ccc(O)c(Cl)c1 ZINC000001181852 132380853 /nfs/dbraw/zinc/38/08/53/132380853.db2.gz XTIAERWYDGPRBL-WUXMJOGZSA-N -1 0 360.728 2.851 50 10 FFCARM COc1ccc(OC)c(N2C(=O)C(=Cc3cccn3C)C(=O)[N-]C2=S)c1 ZINC000002315738 132383230 /nfs/dbraw/zinc/38/32/30/132383230.db2.gz LKNLWWBXVIQFFU-LCYFTJDESA-N -1 0 371.418 2.714 50 10 FFCARM COc1ccc(N2C(=O)[N-]C(=O)C(=CNc3ccc(C)cc3)C2=O)cc1 ZINC000002892900 132384266 /nfs/dbraw/zinc/38/42/66/132384266.db2.gz ZSQCCZNSMIPDSV-WJDWOHSUSA-N -1 0 351.362 2.582 50 10 FFCARM CC[C@H](C)[C@H]([NH2+]Cc1c([O-])ccc2c3c(c(=O)oc21)CCCC3)C(=O)[O-] ZINC000002326903 506277583 /nfs/dbraw/zinc/27/75/83/506277583.db2.gz UYFNOTJIQGIEIF-GTNSWQLSSA-N -1 0 359.422 2.966 50 10 FFCARM COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)ccc1OCC(=O)[O-] ZINC000033524535 506358722 /nfs/dbraw/zinc/35/87/22/506358722.db2.gz WKBHNVYXDRWIJS-MHWRWJLKSA-N -1 0 366.373 2.965 50 10 FFCARM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(O)cc3)C2=O)cc1Cl ZINC000004600005 506384964 /nfs/dbraw/zinc/38/49/64/506384964.db2.gz WOZKXQDCDJLAJK-JYRVWZFOSA-N -1 0 372.764 2.721 50 10 FFCARM N=C1/C(=C\c2ccc(-c3ccc(C(=O)[O-])cc3)o2)C(=O)N=C2SC=NN21 ZINC000009434899 506696730 /nfs/dbraw/zinc/69/67/30/506696730.db2.gz OVXVEVWURGMHME-NFFPZGGSSA-N -1 0 366.358 2.894 50 10 FFCARM COc1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc1 ZINC000002892865 536655065 /nfs/dbraw/zinc/65/50/65/536655065.db2.gz YTOJHJNIIQVFNF-RAXLEYEMSA-N -1 0 371.780 2.927 50 10 FFCARM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3)C2=O)ccc1O ZINC000001195109 1014454257 /nfs/dbraw/zinc/45/42/57/1014454257.db2.gz TZFZJRATRMFFRR-GXDHUFHOSA-N -1 0 368.414 2.622 50 10 FFCARM COc1ccccc1NC=C1C(=O)[N-]C(=S)N(c2ccccc2C)C1=O ZINC000005595892 1010121382 /nfs/dbraw/zinc/12/13/82/1010121382.db2.gz GUZMPPTTXLOBCY-QBFSEMIESA-N -1 0 367.430 2.747 50 10 FFCARM CCC[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S ZINC000000966731 219347683 /nfs/dbraw/zinc/34/76/83/219347683.db2.gz MGQXIIBLTNLNMI-QVASGMJFSA-N -1 0 365.432 2.870 50 10 FFCARM O=C1[N-]C(=O)C(=Cc2cn(Cc3ccccc3F)c3ccccc23)C(=O)N1 ZINC000001062651 219361621 /nfs/dbraw/zinc/36/16/21/219361621.db2.gz ZPCIQIIPPGABHK-UHFFFAOYSA-N -1 0 363.348 2.578 50 10 FFCARM CCc1ccccc1-n1c(C)cc(/C=C2/C(=O)[N-]C(=O)N(C)C2=O)c1C ZINC000014010980 220102668 /nfs/dbraw/zinc/10/26/68/220102668.db2.gz MNIIMNRNIGAWRY-WJDWOHSUSA-N -1 0 351.406 2.748 50 10 FFCARM CC(=O)NC1=NC(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)S1 ZINC000018255097 220229588 /nfs/dbraw/zinc/22/95/88/220229588.db2.gz KUYGVYFIDZUETM-ZSOIEALJSA-N -1 0 357.347 2.961 50 10 FFCARM O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C\c1ccc(N2CCCC2)cc1 ZINC000005589716 132258294 /nfs/dbraw/zinc/25/82/94/132258294.db2.gz FMJDMKLUBPUYDL-JXAWBTAJSA-N -1 0 361.401 2.953 50 10 FFCARM COc1ccccc1NC=C1C(=O)[N-]C(=O)N(c2ccccc2Cl)C1=O ZINC000002892774 132384360 /nfs/dbraw/zinc/38/43/60/132384360.db2.gz LLEHGSGGLAFTIH-KHPPLWFESA-N -1 0 371.780 2.927 50 10 FFCARM Cc1[n-]n(C(N)=S)c(=O)c1N=Nc1ccc(C)c(Br)c1 ZINC000100524840 222247032 /nfs/dbraw/zinc/24/70/32/222247032.db2.gz KPCFIFMDHBMEAA-OGNJIVFWSA-N -1 0 354.233 2.672 50 10 FFCARM O=C([O-])CCN1C(=O)/C(=C\C=C\c2ccc([N+](=O)[O-])cc2)SC1=S ZINC000001811639 506268711 /nfs/dbraw/zinc/26/87/11/506268711.db2.gz XGFYMHNHUOAPHS-GYRQOCMCSA-N -1 0 364.404 2.827 50 10 FFCARM O=C1[N-]C(=O)N(CCc2ccc(F)cc2)C(=O)/C1=C/C=C/c1ccco1 ZINC000002277860 506276539 /nfs/dbraw/zinc/27/65/39/506276539.db2.gz JQQHYTPJBXXCFA-TZWKYVIBSA-N -1 0 354.337 2.679 50 10 FFCARM CCCCS(=O)(=O)c1c(C(=O)[O-])ccc2c1C(=O)c1ccccc1C2=O ZINC000004694298 506388881 /nfs/dbraw/zinc/38/88/81/506388881.db2.gz KDEFVKZPNLIKLL-UHFFFAOYSA-N -1 0 372.398 2.734 50 10 FFCARM O=C1[N-]C(=O)N(c2cccnc2)C(=O)/C1=C/c1cccn1-c1ccccc1 ZINC000004711764 506390110 /nfs/dbraw/zinc/39/01/10/506390110.db2.gz PVERYIUEGAZWGH-SFQUDFHCSA-N -1 0 358.357 2.539 50 10 FFCARM COc1ccccc1N1C(=O)[N-]C(=O)C(=CNc2ccc(C)cc2)C1=O ZINC000015800118 507061073 /nfs/dbraw/zinc/06/10/73/507061073.db2.gz CAJFPSNYHPIJCW-SDNWHVSQSA-N -1 0 351.362 2.582 50 10 FFCARM CC[C@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(C(=O)OC)cc2)SC1=S ZINC000027530427 507662639 /nfs/dbraw/zinc/66/26/39/507662639.db2.gz IPBPYGAUIUXUGK-OYGDSYQHSA-N -1 0 365.432 2.538 50 10 FFCARM CCN1c2ccccc2S/C1=C\C=C\C=C\C=C1C(=O)[N-]C(=O)NC1=O ZINC000685944538 571104591 /nfs/dbraw/zinc/10/45/91/571104591.db2.gz LLEHQRXTTKVQNA-BFWJFSDSSA-N -1 0 367.430 2.865 50 10 FFCARM CSc1ncc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cn1 ZINC000015856259 727822024 /nfs/dbraw/zinc/82/20/24/727822024.db2.gz AFDIDPRWCGUIPX-POHAHGRESA-N -1 0 374.809 2.518 50 10 FFCARM O=C1[N-]N(c2ccccc2)C(=O)/C1=C/c1cccn1-c1ccc([N+](=O)[O-])cc1 ZINC000001199311 1014455876 /nfs/dbraw/zinc/45/58/76/1014455876.db2.gz XPZBTLORZZBCKL-QGOAFFKASA-N -1 0 374.356 2.847 50 10 FFCARM CCCOC(=O)CN1C(=O)/C(=C/c2ccccc2C(=O)[O-])SC1=S ZINC000001809410 219420266 /nfs/dbraw/zinc/42/02/66/219420266.db2.gz OIKSGFHPOUOYMU-WQLSENKSSA-N -1 0 365.432 2.539 50 10 FFCARM CCOc1ccc(N2C(=O)[N-]C(=O)C(=CNc3ccc(F)cc3)C2=O)cc1 ZINC000100241408 132232468 /nfs/dbraw/zinc/23/24/68/132232468.db2.gz PFXLUAFUTQTGTN-LFIBNONCSA-N -1 0 369.352 2.803 50 10 FFCARM Cc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000001202522 132381041 /nfs/dbraw/zinc/38/10/41/132381041.db2.gz YWJIBBRQRVBONR-ZROIWOOFSA-N -1 0 351.318 2.570 50 10 FFCARM Cc1cccc(N2C(=O)[N-]C(=O)C(=CNc3ccc(O)cc3C)C2=O)c1 ZINC000004797337 132824715 /nfs/dbraw/zinc/82/47/15/132824715.db2.gz JKDCVKBAIRTHIO-GDNBJRDFSA-N -1 0 351.362 2.588 50 10 FFCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N4CCCC4)o3)C2=O)cc1 ZINC000004704215 506390515 /nfs/dbraw/zinc/39/05/15/506390515.db2.gz PZDASWKDRUARGT-VBKFSLOCSA-N -1 0 365.389 2.855 50 10 FFCARM COc1cccc(C2=NN(C(=O)CCC(=O)[O-])[C@@H](c3ccccc3O)C2)c1 ZINC000006730372 506500154 /nfs/dbraw/zinc/50/01/54/506500154.db2.gz GUAFCOSYJSCRHT-QGZVFWFLSA-N -1 0 368.389 2.943 50 10 FFCARM Cc1cccc(N2C(=O)C(=CNN3CCCCCC3)C(=O)[N-]C2=S)c1 ZINC000006924255 506517316 /nfs/dbraw/zinc/51/73/16/506517316.db2.gz KYJYFBNRYSBNEX-NTCAYCPXSA-N -1 0 358.467 2.848 50 10 FFCARM CCOC(=O)c1c(C)n[nH]c1N=Nc1c(C)[n-]n(-c2ccccc2)c1=O ZINC000252637293 509856797 /nfs/dbraw/zinc/85/67/97/509856797.db2.gz XRKZDEOLFAYVRH-CQSZACIVSA-N -1 0 354.370 2.770 50 10 FFCARM CC(=O)Oc1cccc(/C=C2\C(=O)[N-]N(c3cccc(Cl)c3)C2=O)c1 ZINC000000666887 219311387 /nfs/dbraw/zinc/31/13/87/219311387.db2.gz QIJDOXIPGPEHFH-CXUHLZMHSA-N -1 0 356.765 2.727 50 10 FFCARM COc1ccc(/C=C2\C(=O)[N-]N(c3cccc(Cl)c3)C2=O)cc1[N+](=O)[O-] ZINC000000820705 219326977 /nfs/dbraw/zinc/32/69/77/219326977.db2.gz IFWWMEKPFDEKSI-NTUHNPAUSA-N -1 0 373.752 2.718 50 10 FFCARM CCN1c2ccccc2S/C1=C1/SC(=S)N(CC(=O)[O-])C1=O ZINC000001065726 219362483 /nfs/dbraw/zinc/36/24/83/219362483.db2.gz JIGTUJHXEHURKA-ACCUITESSA-N -1 0 352.462 2.733 50 10 FFCARM O=C([O-])CN1C(=O)/C(=C/c2ccc(N3CCCCC3)o2)SC1=S ZINC000002204115 219431170 /nfs/dbraw/zinc/43/11/70/219431170.db2.gz SWDYMRUGEGFTAP-FLIBITNWSA-N -1 0 352.437 2.556 50 10 FFCARM CC(=O)Oc1cccc(/C=C2/C(=O)[N-]N(c3cccc(Cl)c3)C2=O)c1 ZINC000016182865 220180173 /nfs/dbraw/zinc/18/01/73/220180173.db2.gz QIJDOXIPGPEHFH-SXGWCWSVSA-N -1 0 356.765 2.727 50 10 FFCARM O=C1[N-]C(=S)N(c2ccccc2F)C(=O)C1=CNc1ccccc1F ZINC000098086267 132231868 /nfs/dbraw/zinc/23/18/68/132231868.db2.gz WABNCBDUOJUELO-MDZDMXLPSA-N -1 0 359.357 2.709 50 10 FFCARM COc1cccc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)c1 ZINC000001213597 132381129 /nfs/dbraw/zinc/38/11/29/132381129.db2.gz OQRPRZOTIDEORQ-GZTJUZNOSA-N -1 0 350.374 2.978 50 10 FFCARM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3C)C2=O)ccc1O ZINC000001225673 132381298 /nfs/dbraw/zinc/38/12/98/132381298.db2.gz PTFVWOSGYAIBPR-UKTHLTGXSA-N -1 0 368.414 2.541 50 10 FFCARM CCc1ccccc1-n1c(C)cc(/C=C2\C(=O)[N-]C(=O)N(C)C2=O)c1C ZINC000001176493 506253640 /nfs/dbraw/zinc/25/36/40/506253640.db2.gz MNIIMNRNIGAWRY-LFIBNONCSA-N -1 0 351.406 2.748 50 10 FFCARM C=C(c1cccc([N+](=O)[O-])c1)C1SC(=S)N(CCC(=O)[O-])C1=O ZINC000002700369 506287446 /nfs/dbraw/zinc/28/74/46/506287446.db2.gz NOFJATKPGOUODH-WQLSENKSSA-N -1 0 352.393 2.661 50 10 FFCARM O=C1[N-]C(=O)N(c2cccc(Br)c2)C(=O)/C1=C/c1ccco1 ZINC000005067778 506419243 /nfs/dbraw/zinc/41/92/43/506419243.db2.gz RNUHOCBGZSFLBT-XYOKQWHBSA-N -1 0 361.151 2.709 50 10 FFCARM CCOc1cc(C=C2C(=O)[N-]C(=O)N(Cc3ccccc3)C2=O)ccc1O ZINC000009059087 506679377 /nfs/dbraw/zinc/67/93/77/506679377.db2.gz APGMUYMTJLFYMN-GDNBJRDFSA-N -1 0 366.373 2.657 50 10 FFCARM COc1ccc(/N=N/c2ccccc2)cc1S(=O)(=O)N(C)CC(=O)[O-] ZINC000217338270 509269879 /nfs/dbraw/zinc/26/98/79/509269879.db2.gz CHCQCFSGIFRSHK-ISLYRVAYSA-N -1 0 363.395 2.816 50 10 FFCARM COc1ccc(NC=C2C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc1 ZINC000101350854 570819231 /nfs/dbraw/zinc/81/92/31/570819231.db2.gz LAMMFZIDWGGCJO-XNTDXEJSSA-N -1 0 371.780 2.927 50 10 FFCARM O=C1[N-]N(c2ccccc2)C(=O)/C1=C/c1ccc(O)c(Br)c1 ZINC000001202527 219388614 /nfs/dbraw/zinc/38/86/14/219388614.db2.gz GLBSNSXUBOLWKW-XYOKQWHBSA-N -1 0 359.179 2.616 50 10 FFCARM Cc1cc([N+](=O)[O-])cc([C@H]2[NH2+][C@@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)c1[O-] ZINC000012659848 220017072 /nfs/dbraw/zinc/01/70/72/220017072.db2.gz CTIPGICZGLESJX-NVXWUHKLSA-N -1 0 367.361 2.778 50 10 biogenic FFCARM CC(C)[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2cnc3ccccc3n2)SC1=S ZINC000054361123 221053459 /nfs/dbraw/zinc/05/34/59/221053459.db2.gz AWKKQSFMYOIDDM-LVOZBFFPSA-N -1 0 373.459 2.940 50 10 FFCARM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(O)c(Cl)c1 ZINC000001185900 132380824 /nfs/dbraw/zinc/38/08/24/132380824.db2.gz HNIAQKUEHGCOQI-KPKJPENVSA-N -1 0 360.728 2.851 50 10 FFCARM CCOc1cccc(N2C(=O)/C(=C/c3cccs3)C(=O)[N-]C2=S)c1 ZINC000001203352 132381137 /nfs/dbraw/zinc/38/11/37/132381137.db2.gz DSYQSWFYAQGDAR-GXDHUFHOSA-N -1 0 358.444 2.978 50 10 FFCARM Cn1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)c2ccccc21 ZINC000002286259 132383088 /nfs/dbraw/zinc/38/30/88/132383088.db2.gz OPPKIZVINNCWDV-MHWRWJLKSA-N -1 0 363.348 2.984 50 10 FFCARM CC(C)[C@H](C(=O)[O-])N1C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)SC1=S ZINC000005214033 506428253 /nfs/dbraw/zinc/42/82/53/506428253.db2.gz HQCAXLOOJFXWST-SEVUFMINSA-N -1 0 366.420 2.905 50 10 FFCARM O=C1[N-]C(=O)N(c2ccccc2F)C(=O)C1=Cc1ccc(N2CCCC2)o1 ZINC000008742632 506666162 /nfs/dbraw/zinc/66/61/62/506666162.db2.gz ISRLAJVEBDEGBE-QBFSEMIESA-N -1 0 369.352 2.890 50 10 FFCARM C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2C=C2C(=O)[N-]C(=O)NC2=O)[C@@H](C)C1 ZINC000015188032 507024249 /nfs/dbraw/zinc/02/42/49/507024249.db2.gz VHLWLNSUOHUUMG-QWRGUYRKSA-N -1 0 372.381 2.809 50 10 FFCARM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1nc2ccccc2[nH]1 ZINC000017180680 507119195 /nfs/dbraw/zinc/11/91/95/507119195.db2.gz MZQSXSFEKSRJMA-XFXZXTDPSA-N -1 0 350.309 2.573 50 10 FFCARM O=C(Nc1cccc([N-]S(=O)(=O)c2cccc3nsnc32)c1)C1CC1 ZINC000028251214 507716402 /nfs/dbraw/zinc/71/64/02/507716402.db2.gz NAWHCXVIFDMPFA-UHFFFAOYSA-N -1 0 374.447 2.841 50 10 FFCARM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)c(OC)c1 ZINC000001192843 536598324 /nfs/dbraw/zinc/59/83/24/536598324.db2.gz CDKIJAOFMYLMFX-MHWRWJLKSA-N -1 0 366.373 2.679 50 10 FFCARM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c(C)c1 ZINC000000843343 536598382 /nfs/dbraw/zinc/59/83/82/536598382.db2.gz DBBKYKMXMJFPCC-GZTJUZNOSA-N -1 0 350.374 2.978 50 10 FFCARM CCOc1cc(/C=C2\C(=O)[N-]N(c3cccc(Cl)c3)C2=O)ccc1O ZINC000000829580 219328209 /nfs/dbraw/zinc/32/82/09/219328209.db2.gz VQEMYDVBZOWFAX-RIYZIHGNSA-N -1 0 358.781 2.906 50 10 FFCARM O=C([O-])CN1C(=O)/C(=C\C2=Cc3cc(Cl)ccc3OC2)SC1=S ZINC000011291205 219917602 /nfs/dbraw/zinc/91/76/02/219917602.db2.gz JXIIETWQAVJJOO-UUILKARUSA-N -1 0 367.835 2.945 50 10 FFCARM Oc1ccc(C2=Nn3c(Cc4ccccc4F)nnc3SC2)c(O)c1 ZINC000013120342 220059166 /nfs/dbraw/zinc/05/91/66/220059166.db2.gz CDOCJDBMNJCKLQ-UHFFFAOYSA-N -1 0 356.382 2.777 50 10 FFCARM CCOc1cccc(N2C(=O)/C(=C/c3ccccc3)C(=O)[N-]C2=S)c1 ZINC000001203483 132381088 /nfs/dbraw/zinc/38/10/88/132381088.db2.gz UCZRKHXWVURVQW-LFIBNONCSA-N -1 0 352.415 2.917 50 10 FFCARM O=C([O-])c1ccc2c(c1)nc1n(c2=O)CC/C1=C/c1ccccc1[N+](=O)[O-] ZINC000097993523 222219074 /nfs/dbraw/zinc/21/90/74/222219074.db2.gz CHLOJJZRYMIXOM-XFXZXTDPSA-N -1 0 363.329 2.947 50 10 FFCARM O=C([O-])CCN1C(=O)/C(=C\c2cc([N+](=O)[O-])ccc2Cl)SC1=S ZINC000002832529 506296514 /nfs/dbraw/zinc/29/65/14/506296514.db2.gz JHCHXPYFCOTUOJ-UXBLZVDNSA-N -1 0 372.811 2.924 50 10 FFCARM O=C1[N-]C(=O)N(Cc2ccccc2)C(=O)C1=CNc1ccc(Cl)cc1 ZINC000005650034 506453228 /nfs/dbraw/zinc/45/32/28/506453228.db2.gz BSCUCSOTMBNCOW-GDNBJRDFSA-N -1 0 355.781 2.914 50 10 FFCARM C[C@H]1CCc2c(sc([N-]S(=O)(=O)c3cccc(F)c3)c2C(N)=O)C1 ZINC000007409932 506560376 /nfs/dbraw/zinc/56/03/76/506560376.db2.gz IYTJXSWWEVMOCV-VIFPVBQESA-N -1 0 368.455 2.912 50 10 FFCARM COc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OCCCC(=O)[O-] ZINC000008411926 506649909 /nfs/dbraw/zinc/64/99/09/506649909.db2.gz ZIIUXLAAFNHNQV-UKTHLTGXSA-N -1 0 367.448 2.770 50 10 FFCARM O=C1[N-]N(c2ccccc2)C(=O)/C1=C/c1cc(Br)ccc1O ZINC000009138061 506683646 /nfs/dbraw/zinc/68/36/46/506683646.db2.gz DUBQXDRETSIORI-UKTHLTGXSA-N -1 0 359.179 2.616 50 10 FFCARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(N=NN3CCCC3)cc2)n1 ZINC000252618669 509854652 /nfs/dbraw/zinc/85/46/52/509854652.db2.gz LJPMGJGDICTOKF-UHFFFAOYSA-N -1 0 360.443 2.989 50 10 FFCARM